 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer04_STD_M11_def2SVPD.in
 Output=22_phenylethanamine_conformer04_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-255721.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    255738.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer04_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer04_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.015699000000     -1.138132000000     -0.153815000000
  C                                                 0.638227000000     -1.184978000000     -0.311533000000
  C                                                -0.141832000000     -0.032477000000     -0.189620000000
  C                                                 0.500424000000      1.172188000000      0.084373000000
  C                                                 1.881262000000      1.221600000000      0.250761000000
  C                                                 2.644485000000      0.068526000000      0.135177000000
  C                                                -1.649929000000     -0.124479000000     -0.356486000000
  N                                                -2.274918000000      1.199425000000     -0.317152000000
  C                                                -2.260426000000     -1.102776000000      0.659981000000
  H                                                -2.265656000000      1.564094000000      0.630511000000
  H                                                -1.839228000000     -0.517618000000     -1.360895000000
  H                                                -2.090423000000     -0.739339000000      1.676400000000
  H                                                -1.826100000000     -2.100418000000      0.585451000000
  H                                                -3.337367000000     -1.189506000000      0.500207000000
  H                                                -0.079749000000      2.081767000000      0.140221000000
  H                                                 2.359886000000      2.169228000000      0.463823000000
  H                                                 3.718801000000      0.107980000000      0.260806000000
  H                                                 2.599874000000     -2.043659000000     -0.258670000000
  H                                                 0.164968000000     -2.131705000000     -0.542207000000
  H                                                -3.248037000000      1.126363000000     -0.588600000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.387263   0.000000
     3  C    2.424602   1.397002   0.000000
     4  C    2.773152   2.394152   1.392402   0.000000
     5  C    2.397935   2.766393   2.420652   1.391704   0.000000
     6  C    1.391011   2.407466   2.807001   2.411980   1.387605
     7  C    3.808595   2.522367   1.520087   2.549455   3.827530
     8  N    4.888788   3.764548   2.466557   2.804369   4.194860
     9  C    4.353017   3.058232   2.521072   3.623407   4.766945
    10  H    5.123201   4.108209   2.780698   2.846587   4.178330
    11  H    4.086874   2.772059   2.118584   3.227726   4.411843
    12  H    4.513198   3.405290   2.789031   3.591793   4.653172
    13  H    4.028887   2.777682   2.777386   4.046448   4.989224
    14  H    5.393116   4.057621   3.467855   4.525390   5.754107
    15  H    3.852935   3.375084   2.140719   1.080303   2.144218
    16  H    3.382096   3.849154   3.396040   2.143751   1.082809
    17  H    2.150642   3.389579   3.889357   3.394351   2.148674
    18  H    1.082698   2.142005   3.400966   3.855780   3.381988
    19  H    2.136174   1.083271   2.150628   3.379474   3.849561
    20  H    5.746642   4.530134   3.339252   3.808668   5.198394
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.326774   0.000000
     8  N    5.067944   1.464541   0.000000
     9  C    5.070061   1.537198   2.501025   0.000000
    10  H    5.156701   2.050503   1.015448   2.667038   0.000000
    11  H    4.762928   1.095094   2.056079   2.145637   2.912227
    12  H    5.044538   2.169035   2.786951   1.092747   2.535822
    13  H    4.989308   2.196046   3.450376   1.090634   3.691055
    14  H    6.123597   2.171555   2.739318   1.092178   2.957678
    15  H    3.387420   2.753126   2.409665   3.894460   2.299252
    16  H    2.145216   4.691760   4.799151   5.664960   4.667934
    17  H    1.082356   5.409099   6.119637   6.113626   6.170144
    18  H    2.149054   4.664080   5.855306   5.035047   6.122084
    19  H    3.383470   2.712434   4.135229   2.895943   4.576257
    20  H    6.030314   2.042653   1.012908   2.739232   1.625704
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.055719   0.000000
    13  H    2.508723   1.764248   0.000000
    14  H    2.481845   1.772272   1.766623   0.000000
    15  H    3.479356   3.789630   4.553970   4.630647   0.000000
    16  H    5.308606   5.453013   5.980564   6.613706   2.462557
    17  H    5.823485   6.038952   5.977319   7.178460   4.282448
    18  H    4.821756   5.238762   4.506108   6.046181   4.935447
    19  H    2.700431   3.456543   2.288437   3.773687   4.275388
    20  H    2.298664   3.154543   3.716506   2.560611   3.388514
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477218   0.000000
    18  H    4.281122   2.480202   0.000000
    19  H    4.932321   4.276768   2.452940   0.000000
    20  H    5.800342   7.091927   6.660027   4.718661   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.41D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4178168           1.1702025           0.9286938
 Leave Link  202 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3718298430 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.36D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer04_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.710228241270    
 DIIS: error= 5.70D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.710228241270     IErMin= 1 ErrMin= 5.70D-03
 ErrMax= 5.70D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-02 BMatP= 1.28D-02
 IDIUse=3 WtCom= 9.43D-01 WtEn= 5.70D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.403 Goal=   None    Shift=    0.000
 GapD=    0.403 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.50D-02 MaxDP=5.19D-01              OVMax= 2.02D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.18D-02    CP:  1.28D+00
 E= -365.724455692026     Delta-E=       -0.014227450756 Rises=F Damp=F
 DIIS: error= 5.72D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.724455692026     IErMin= 2 ErrMin= 5.72D-04
 ErrMax= 5.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-04 BMatP= 1.28D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.72D-03
 Coeff-Com: -0.949D-01 0.109D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.944D-01 0.109D+01
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=3.69D-03 MaxDP=1.57D-01 DE=-1.42D-02 OVMax= 8.07D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.50D-03    CP:  1.37D+00  1.17D+00
 E= -365.725020323898     Delta-E=       -0.000564631872 Rises=F Damp=F
 DIIS: error= 3.42D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.725020323898     IErMin= 3 ErrMin= 3.42D-04
 ErrMax= 3.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.69D-05 BMatP= 3.20D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.42D-03
 Coeff-Com: -0.473D-01 0.341D+00 0.706D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.472D-01 0.340D+00 0.707D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=3.15D-04 MaxDP=1.78D-02 DE=-5.65D-04 OVMax= 2.66D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.20D-04    CP:  1.37D+00  1.18D+00  1.05D+00
 E= -365.725086048353     Delta-E=       -0.000065724455 Rises=F Damp=F
 DIIS: error= 1.07D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.725086048353     IErMin= 4 ErrMin= 1.07D-04
 ErrMax= 1.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.95D-06 BMatP= 7.69D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.07D-03
 Coeff-Com: -0.105D-02-0.566D-01 0.205D+00 0.852D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.105D-02-0.566D-01 0.205D+00 0.853D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=8.99D-05 MaxDP=4.31D-03 DE=-6.57D-05 OVMax= 1.46D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.32D-05    CP:  1.37D+00  1.18D+00  1.07D+00  9.94D-01
 E= -365.725097354023     Delta-E=       -0.000011305670 Rises=F Damp=F
 DIIS: error= 2.41D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.725097354023     IErMin= 5 ErrMin= 2.41D-05
 ErrMax= 2.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.90D-07 BMatP= 8.95D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.266D-02-0.298D-01-0.170D-01 0.160D+00 0.884D+00
 Coeff:      0.266D-02-0.298D-01-0.170D-01 0.160D+00 0.884D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=2.57D-05 MaxDP=1.25D-03 DE=-1.13D-05 OVMax= 5.13D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.72D-05    CP:  1.37D+00  1.18D+00  1.08D+00  1.04D+00  1.13D+00
 E= -365.725098252388     Delta-E=       -0.000000898364 Rises=F Damp=F
 DIIS: error= 7.77D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.725098252388     IErMin= 6 ErrMin= 7.77D-06
 ErrMax= 7.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.18D-08 BMatP= 4.90D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.764D-03-0.358D-02-0.205D-01-0.277D-01 0.199D+00 0.852D+00
 Coeff:      0.764D-03-0.358D-02-0.205D-01-0.277D-01 0.199D+00 0.852D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=2.87D-04 DE=-8.98D-07 OVMax= 2.32D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.55D-06    CP:  1.37D+00  1.18D+00  1.08D+00  1.05D+00  1.21D+00
                    CP:  1.22D+00
 E= -365.725098385857     Delta-E=       -0.000000133469 Rises=F Damp=F
 DIIS: error= 3.28D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.725098385857     IErMin= 7 ErrMin= 3.28D-06
 ErrMax= 3.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-08 BMatP= 6.18D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.281D-03 0.461D-02-0.175D-02-0.357D-01-0.116D+00 0.200D+00
 Coeff-Com:  0.948D+00
 Coeff:     -0.281D-03 0.461D-02-0.175D-02-0.357D-01-0.116D+00 0.200D+00
 Coeff:      0.948D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=5.18D-06 MaxDP=2.03D-04 DE=-1.33D-07 OVMax= 1.26D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.76D-06    CP:  1.37D+00  1.18D+00  1.07D+00  1.05D+00  1.23D+00
                    CP:  1.40D+00  1.26D+00
 E= -365.725098411274     Delta-E=       -0.000000025417 Rises=F Damp=F
 DIIS: error= 1.32D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.725098411274     IErMin= 8 ErrMin= 1.32D-06
 ErrMax= 1.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-09 BMatP= 1.00D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.173D-03 0.210D-02 0.105D-02-0.112D-01-0.599D-01 0.224D-02
 Coeff-Com:  0.350D+00 0.716D+00
 Coeff:     -0.173D-03 0.210D-02 0.105D-02-0.112D-01-0.599D-01 0.224D-02
 Coeff:      0.350D+00 0.716D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.52D-06 MaxDP=6.52D-05 DE=-2.54D-08 OVMax= 2.77D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.15D-07    CP:  1.37D+00  1.18D+00  1.07D+00  1.05D+00  1.24D+00
                    CP:  1.43D+00  1.39D+00  1.17D+00
 E= -365.725098413511     Delta-E=       -0.000000002237 Rises=F Damp=F
 DIIS: error= 3.68D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.725098413511     IErMin= 9 ErrMin= 3.68D-07
 ErrMax= 3.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-10 BMatP= 1.37D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.140D-04-0.349D-03 0.429D-03 0.352D-02 0.684D-02-0.311D-01
 Coeff-Com: -0.803D-01 0.128D+00 0.973D+00
 Coeff:      0.140D-04-0.349D-03 0.429D-03 0.352D-02 0.684D-02-0.311D-01
 Coeff:     -0.803D-01 0.128D+00 0.973D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=7.39D-07 MaxDP=2.81D-05 DE=-2.24D-09 OVMax= 1.21D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.91D-07    CP:  1.37D+00  1.18D+00  1.07D+00  1.05D+00  1.23D+00
                    CP:  1.45D+00  1.43D+00  1.28D+00  1.20D+00
 E= -365.725098413742     Delta-E=       -0.000000000231 Rises=F Damp=F
 DIIS: error= 1.30D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.725098413742     IErMin=10 ErrMin= 1.30D-07
 ErrMax= 1.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-11 BMatP= 1.00D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-04-0.234D-03 0.659D-04 0.173D-02 0.580D-02-0.855D-02
 Coeff-Com: -0.446D-01-0.152D-01 0.273D+00 0.788D+00
 Coeff:      0.149D-04-0.234D-03 0.659D-04 0.173D-02 0.580D-02-0.855D-02
 Coeff:     -0.446D-01-0.152D-01 0.273D+00 0.788D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.27D-07 MaxDP=5.03D-06 DE=-2.31D-10 OVMax= 2.03D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.19D-08    CP:  1.37D+00  1.18D+00  1.07D+00  1.05D+00  1.23D+00
                    CP:  1.45D+00  1.43D+00  1.30D+00  1.26D+00  1.13D+00
 E= -365.725098413772     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 3.65D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -365.725098413772     IErMin=11 ErrMin= 3.65D-08
 ErrMax= 3.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-12 BMatP= 1.00D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.196D-05-0.108D-04-0.329D-04-0.407D-04 0.420D-03 0.198D-02
 Coeff-Com:  0.520D-04-0.209D-01-0.644D-01 0.159D+00 0.924D+00
 Coeff:      0.196D-05-0.108D-04-0.329D-04-0.407D-04 0.420D-03 0.198D-02
 Coeff:      0.520D-04-0.209D-01-0.644D-01 0.159D+00 0.924D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=5.06D-08 MaxDP=1.52D-06 DE=-2.99D-11 OVMax= 8.88D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.53D-08    CP:  1.37D+00  1.18D+00  1.07D+00  1.05D+00  1.23D+00
                    CP:  1.45D+00  1.44D+00  1.30D+00  1.27D+00  1.22D+00
                    CP:  1.16D+00
 E= -365.725098413774     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 2.07D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -365.725098413774     IErMin=12 ErrMin= 2.07D-08
 ErrMax= 2.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-13 BMatP= 1.05D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.963D-06 0.209D-04-0.161D-04-0.195D-03-0.511D-03 0.150D-02
 Coeff-Com:  0.480D-02-0.478D-02-0.487D-01-0.364D-01 0.293D+00 0.792D+00
 Coeff:     -0.963D-06 0.209D-04-0.161D-04-0.195D-03-0.511D-03 0.150D-02
 Coeff:      0.480D-02-0.478D-02-0.487D-01-0.364D-01 0.293D+00 0.792D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.98D-08 MaxDP=5.75D-07 DE=-1.48D-12 OVMax= 3.26D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.30D-09    CP:  1.37D+00  1.18D+00  1.07D+00  1.05D+00  1.23D+00
                    CP:  1.45D+00  1.44D+00  1.30D+00  1.27D+00  1.23D+00
                    CP:  1.23D+00  1.07D+00
 E= -365.725098413766     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 7.99D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -365.725098413774     IErMin=13 ErrMin= 7.99D-09
 ErrMax= 7.99D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-14 BMatP= 1.74D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.462D-06 0.659D-05 0.789D-07-0.441D-04-0.192D-03 0.135D-03
 Coeff-Com:  0.129D-02 0.144D-02-0.456D-02-0.286D-01-0.381D-01 0.195D+00
 Coeff-Com:  0.874D+00
 Coeff:     -0.462D-06 0.659D-05 0.789D-07-0.441D-04-0.192D-03 0.135D-03
 Coeff:      0.129D-02 0.144D-02-0.456D-02-0.286D-01-0.381D-01 0.195D+00
 Coeff:      0.874D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=6.09D-09 MaxDP=1.30D-07 DE= 7.96D-12 OVMax= 1.84D-07

 SCF Done:  E(RM11) =  -365.725098414     A.U. after   13 cycles
            NFock= 13  Conv=0.61D-08     -V/T= 2.0124
 KE= 3.612398588237D+02 PE=-1.696800720677D+03 EE= 5.444639335966D+02
 Leave Link  502 at Thu Aug 12 21:47:34 2021, MaxMem=  5368709120 cpu:             650.7 elap:              81.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.83110140D+02

 Leave Link  801 at Thu Aug 12 21:47:34 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 3.03D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 1.77D-01 5.33D-02.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 2.69D-02 3.99D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 2.37D-03 9.28D-03.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 1.47D-04 1.70D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 6.66D-06 2.70D-04.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 2.28D-07 5.02D-05.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 6.58D-09 1.03D-05.
     11 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 1.31D-10 1.80D-06.
     11 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 2.84D-12 2.55D-07.
      8 vectors produced by pass 10 Test12= 1.29D-13 8.33D-09 XBig12= 6.10D-14 3.63D-08.
      1 vectors produced by pass 11 Test12= 1.29D-13 8.33D-09 XBig12= 6.97D-15 1.20D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.132589D+03
      2  0.833898D+00  0.109410D+03
      3  0.255986D+01  0.430175D+01  0.726073D+02
 Isotropic polarizability for W=    0.085645      104.87 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.661859D+02  0.342957D+01  0.737798D+01
      2  -0.268226D+02 -0.686182D+01 -0.110010D+02
      3  -0.393633D+02  0.343225D+01  0.362305D+01
      4  -0.138210D+02  0.502614D+02  0.262161D+02
      5   0.184037D+02  0.277918D+02 -0.229372D+02
      6   0.965401D+01  0.561351D+01 -0.773385D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.894208D+00 -0.544261D+00  0.300739D+01
      2   0.110812D+02  0.110511D+02 -0.890842D+01
      3  -0.298459D+00 -0.296135D+02 -0.109280D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.157569D+01  0.166145D+02  0.111661D+02
      2  -0.110257D+02  0.165621D+02  0.164261D+02
      3  -0.172506D+02 -0.770840D+02 -0.181378D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.455512D+00 -0.193562D+01 -0.143779D+01
      2  -0.193562D+01 -0.177055D+01  0.204825D+01
      3  -0.143779D+01  0.204825D+01  0.544013D+00
 OR G Eigenvalues:    -3.2899    -0.9383     3.4572  Iso=     0.2570
 Eigenvectors:
   (1)   0.320508   0.880197  -0.350041
   (2)   0.724717   0.010101   0.688972
   (3)  -0.609967   0.474502   0.634656
 w=    0.085645 a.u., Optical Rotation Beta=      0.2570 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      100.59 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 6.92D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.01D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 3.80D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 5.16D-02 3.31D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 1.74D-03 5.48D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 3.98D-05 8.13D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 5.63D-07 1.02D-04.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 5.72D-09 9.83D-06.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 5.79D-11 7.69D-07.
     30 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 5.83D-13 7.90D-08.
     16 vectors produced by pass  8 Test12= 2.15D-14 2.78D-09 XBig12= 6.19D-15 9.07D-09.
      6 vectors produced by pass  9 Test12= 2.15D-14 2.78D-09 XBig12= 1.52D-15 5.63D-09.
      5 vectors produced by pass 10 Test12= 2.15D-14 2.78D-09 XBig12= 2.98D-15 8.57D-09.
      1 vectors produced by pass 11 Test12= 2.15D-14 2.78D-09 XBig12= 1.15D-15 3.77D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   268 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 2.68D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 2.68D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.79D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132589D+03  0.833898D+00  0.255986D+01
      2   0.833898D+00  0.109410D+03  0.430175D+01
      3   0.255986D+01  0.430175D+01  0.726073D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.894208D+00 -0.544261D+00  0.300739D+01
      2   0.110812D+02  0.110511D+02 -0.890842D+01
      3  -0.298459D+00 -0.296135D+02 -0.109280D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.661859D+02  0.342957D+01  0.737798D+01
      2  -0.268226D+02 -0.686182D+01 -0.110010D+02
      3  -0.393633D+02  0.343225D+01  0.362305D+01
      4  -0.138210D+02  0.502614D+02  0.262161D+02
      5   0.184037D+02  0.277918D+02 -0.229372D+02
      6   0.965401D+01  0.561351D+01 -0.773385D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.236859D+01 -0.171559D+00 -0.456511D+00 -0.500273D+01 -0.633234D+00
      2  -0.171559D+00  0.204805D+01  0.644211D+00 -0.633234D+00 -0.630909D+00
      3  -0.456511D+00  0.644211D+00  0.144087D+01 -0.853795D+00  0.906237D+00
                 6             7             8             9            10 
      1  -0.853795D+00 -0.157123D+01 -0.308417D+00  0.268813D+01  0.346317D+01
      2   0.906237D+00 -0.308417D+00  0.160044D+01 -0.306068D+01  0.181619D+01
      3  -0.182336D+01  0.268813D+01 -0.306068D+01 -0.876546D+00  0.545075D+00
                11            12            13            14            15 
      1   0.181619D+01  0.545075D+00 -0.652400D+01 -0.669107D+00  0.230685D+00
      2  -0.250513D+01  0.163681D+00 -0.669107D+00 -0.143083D+01  0.919151D+00
      3   0.163681D+00 -0.103509D+01  0.230685D+00  0.919151D+00 -0.157704D+01
                16            17            18            19            20 
      1  -0.391249D-01  0.834907D+00 -0.796788D+00 -0.162004D+02 -0.238926D+01
      2   0.834907D+00  0.509586D+00 -0.313019D+01 -0.238926D+01 -0.262707D+01
      3  -0.796788D+00 -0.313019D+01 -0.222199D+01 -0.663983D+00 -0.246380D+00
                21            22            23            24            25 
      1  -0.663983D+00 -0.287781D+01  0.142849D+01  0.914319D+00 -0.779660D+00
      2  -0.246380D+00  0.142849D+01  0.852175D-01 -0.164060D-02  0.918548D+00
      3  -0.172414D+01  0.914319D+00 -0.164060D-02 -0.217115D+00 -0.348576D+01
                26            27            28            29            30 
      1   0.918548D+00 -0.348576D+01  0.414164D+01 -0.837371D+00  0.329495D+00
      2   0.172192D+00 -0.557667D+00 -0.837371D+00 -0.280031D+01 -0.712744D+00
      3  -0.557667D+00 -0.138309D+01  0.329495D+00 -0.712744D+00 -0.170968D+01
                31            32            33            34            35 
      1   0.762353D+01  0.104964D+00  0.808453D-01  0.259965D+01 -0.330581D+00
      2   0.104964D+00  0.169466D+01 -0.525967D+00 -0.330581D+00 -0.104902D+01
      3   0.808453D-01 -0.525967D+00  0.185056D+01 -0.154122D+01  0.338567D+01
                36            37            38            39            40 
      1  -0.154122D+01 -0.316021D+01 -0.132169D+00 -0.508595D+00  0.468817D+01
      2   0.338567D+01 -0.132169D+00  0.220922D+01 -0.302277D+00 -0.277952D+00
      3   0.894983D+00 -0.508595D+00 -0.302277D+00  0.892034D+00 -0.224845D+00
                41            42            43            44            45 
      1  -0.277952D+00 -0.224845D+00  0.188410D+00 -0.828423D+00  0.212229D+01
      2   0.880584D+00 -0.765704D+00 -0.828423D+00 -0.776882D+00  0.337667D+01
      3  -0.765704D+00  0.174705D+01  0.212229D+01  0.337667D+01  0.207470D+01
                46            47            48            49            50 
      1   0.514293D+01  0.233762D+00 -0.572753D+00  0.799057D+00 -0.370926D+00
      2   0.233762D+00  0.305912D+01  0.113038D+00 -0.370926D+00 -0.871280D-01
      3  -0.572753D+00  0.113038D+00  0.242958D+01 -0.103226D+01 -0.280006D+00
                51            52            53            54            55 
      1  -0.103226D+01 -0.434960D+00 -0.101922D+01  0.500196D+01  0.274256D+01
      2  -0.280006D+00 -0.101922D+01  0.100778D+00  0.102930D+00  0.182822D+01
      3  -0.956101D-01  0.500196D+01  0.102930D+00  0.123193D+01  0.736254D-01
                56            57            58            59            60 
      1   0.182822D+01  0.736254D-01  0.562874D+01  0.426195D+01 -0.932933D+00
      2   0.271732D+01 -0.110785D+01  0.426195D+01  0.655330D+00 -0.267959D+00
      3  -0.110785D+01  0.156359D+01 -0.932933D+00 -0.267959D+00  0.380054D+01
                61            62            63            64            65 
      1  -0.384954D-01 -0.157212D+01  0.370617D+01  0.740482D+01  0.420372D+00
      2  -0.157212D+01 -0.163959D+01  0.386447D+01  0.420372D+00 -0.116531D+01
      3   0.370617D+01  0.386447D+01  0.510319D+01  0.114290D+01  0.990085D+00
                66            67            68            69            70 
      1   0.114290D+01  0.745691D+00 -0.220905D+01  0.132528D+01  0.108967D+01
      2   0.990085D+00 -0.220905D+01  0.309132D+01 -0.142407D+01  0.136246D+01
      3   0.193496D-02  0.132528D+01 -0.142407D+01 -0.182640D+01  0.415168D-01
                71            72            73            74            75 
      1   0.136246D+01  0.415168D-01  0.871810D+01  0.106745D+01  0.154188D+01
      2  -0.134051D+01 -0.133626D+01  0.106745D+01 -0.329804D+01  0.103028D+01
      3  -0.133626D+01 -0.462293D+01  0.154188D+01  0.103028D+01 -0.161450D+01
                76            77            78            79            80 
      1  -0.215410D+01 -0.386220D+01  0.152322D+01  0.456851D+01  0.212935D+01
      2  -0.386220D+01  0.265595D+01  0.877867D+00  0.212935D+01  0.200260D+01
      3   0.152322D+01  0.877867D+00 -0.312061D+01 -0.202611D+01 -0.312666D+01
                81            82            83            84            85 
      1  -0.202611D+01 -0.137073D+00  0.486470D+00  0.512774D+00  0.101130D+01
      2  -0.312666D+01  0.486470D+00  0.178099D-01 -0.328311D+00 -0.620361D+00
      3  -0.431367D+01  0.512774D+00 -0.328311D+00  0.209500D+00 -0.643397D+00
                86            87            88            89            90 
      1  -0.620361D+00 -0.643397D+00  0.183637D+01 -0.105582D+01 -0.946390D+00
      2   0.201576D+01  0.104226D+01 -0.105582D+01  0.223385D+01  0.250634D+01
      3   0.104226D+01  0.222787D+01 -0.946390D+00  0.250634D+01  0.460828D+01
                91            92            93            94            95 
      1  -0.167791D+01 -0.738589D+00 -0.175408D+01 -0.242449D+01 -0.153932D+01
      2  -0.738589D+00 -0.727291D+00 -0.243964D+00 -0.153932D+01 -0.129595D+01
      3  -0.175408D+01 -0.243964D+00 -0.142090D+01 -0.555891D+00 -0.153998D+01
                96            97            98            99           100 
      1  -0.555891D+00 -0.389440D+01 -0.468337D+00 -0.279949D+01 -0.452467D+00
      2  -0.153998D+01 -0.468337D+00 -0.140705D+01 -0.194332D+01  0.104001D+00
      3  -0.217961D+01 -0.279949D+01 -0.194332D+01 -0.747704D+01  0.775087D+00
               101           102           103           104           105 
      1   0.104001D+00  0.775087D+00  0.907732D+00  0.296943D+00 -0.414696D+00
      2   0.597335D+00 -0.123763D+00  0.296943D+00  0.415662D+00  0.101179D+01
      3  -0.123763D+00  0.963302D+00 -0.414696D+00  0.101179D+01  0.199495D+01
               106           107           108           109           110 
      1   0.106817D+01  0.352941D-01 -0.534378D+00  0.925676D+00 -0.103080D+01
      2   0.352941D-01  0.121202D+01  0.521977D+00 -0.103080D+01  0.173864D+01
      3  -0.534378D+00  0.521977D+00  0.738645D+01 -0.339330D+00 -0.393700D+00
               111           112           113           114           115 
      1  -0.339330D+00 -0.174372D+01  0.772994D+00  0.482881D-01 -0.760113D+00
      2  -0.393700D+00  0.772994D+00 -0.796031D+01  0.654092D+00 -0.301815D+00
      3   0.674375D+00  0.482881D-01  0.654092D+00 -0.102013D+01  0.383029D+00
               116           117           118           119           120 
      1  -0.301815D+00  0.383029D+00 -0.129627D+02 -0.246720D+01  0.460894D-01
      2  -0.333281D-01 -0.785507D+00 -0.246720D+01 -0.143013D+01  0.142788D+00
      3  -0.785507D+00  0.436490D+00  0.460894D-01  0.142788D+00 -0.118025D+01
               121           122           123           124           125 
      1  -0.853038D+00 -0.129338D+01 -0.197650D+00 -0.188143D+01 -0.432005D+00
      2  -0.129338D+01 -0.105818D+01 -0.110307D+00 -0.432005D+00 -0.614419D+00
      3  -0.197650D+00 -0.110307D+00  0.223945D+00 -0.116932D+01  0.768359D-02
               126           127           128           129           130 
      1  -0.116932D+01 -0.319410D+01  0.212141D+01 -0.898502D-01  0.227079D+01
      2   0.768359D-02  0.212141D+01 -0.224221D+01 -0.141551D+00 -0.262830D+01
      3   0.285624D-01 -0.898502D-01 -0.141551D+00 -0.259393D+00 -0.192845D+00
               131           132           133           134           135 
      1  -0.262830D+01 -0.192845D+00 -0.336962D+00 -0.731959D-01 -0.180491D-01
      2   0.671665D+01  0.515991D+00 -0.731959D-01  0.479890D+00  0.173510D+00
      3   0.515991D+00  0.784577D+00 -0.180491D-01  0.173510D+00  0.404246D-02
               136           137           138           139           140 
      1   0.298363D+01  0.305192D+01  0.728677D+00  0.274860D+01  0.409019D+01
      2   0.305192D+01  0.315154D+01  0.712910D+00  0.409019D+01  0.866908D+01
      3   0.728677D+00  0.712910D+00  0.619451D+00  0.811568D+00  0.160061D+01
               141           142           143           144           145 
      1   0.811568D+00  0.761102D+00  0.991598D+00  0.349598D+00  0.134045D+02
      2   0.160061D+01  0.991598D+00  0.183609D+01  0.534111D+00  0.388631D+00
      3   0.122544D+01  0.349598D+00  0.534111D+00  0.313106D+00  0.125489D+01
               146           147           148           149           150 
      1   0.388631D+00  0.125489D+01  0.274332D+00  0.162855D+01  0.302444D+00
      2   0.793551D+00  0.111520D-02  0.162855D+01  0.139715D+00  0.169958D+00
      3   0.111520D-02  0.114005D+01  0.302444D+00  0.169958D+00  0.778653D-01
               151           152           153           154           155 
      1   0.142909D+01  0.309171D+00  0.266950D+00  0.411002D+01 -0.358900D+01
      2   0.309171D+00  0.103425D+00  0.561271D-02 -0.358900D+01  0.353554D+01
      3   0.266950D+00  0.561271D-02  0.223828D+00 -0.359367D+00  0.278176D+00
               156           157           158           159           160 
      1  -0.359367D+00 -0.343573D+01  0.448459D+01  0.654565D+00 -0.364533D+00
      2   0.278176D+00  0.448459D+01 -0.760806D+01 -0.912082D+00  0.551265D+00
      3   0.575416D+00  0.654565D+00 -0.912082D+00 -0.955531D+00  0.168303D+00
               161           162           163           164           165 
      1   0.551265D+00  0.168303D+00 -0.215384D+01 -0.199673D+01 -0.414294D+00
      2  -0.111369D+01 -0.371099D+00 -0.199673D+01 -0.199498D+01 -0.564281D+00
      3  -0.371099D+00 -0.243230D+00 -0.414294D+00 -0.564281D+00 -0.435085D+00
               166           167           168           169           170 
      1  -0.190659D+01 -0.234783D+01 -0.509033D+00 -0.568561D+00 -0.758427D+00
      2  -0.234783D+01 -0.731802D+01 -0.162052D+01 -0.758427D+00 -0.176563D+01
      3  -0.509033D+00 -0.162052D+01 -0.120990D+01 -0.182819D+00 -0.566240D+00
               171           172           173           174           175 
      1  -0.182819D+00 -0.107297D+02  0.183425D+01 -0.179173D+01  0.224264D+00
      2  -0.566240D+00  0.183425D+01 -0.107767D+01  0.885411D-01 -0.617004D+00
      3  -0.423480D+00 -0.179173D+01  0.885411D-01 -0.113107D+01 -0.333871D+00
               176           177           178           179           180 
      1  -0.617004D+00 -0.333871D+00 -0.287150D+01  0.157749D-01 -0.122762D+01
      2   0.369461D+00 -0.249729D+00  0.157749D-01 -0.510757D+00  0.398638D+00
      3  -0.249729D+00  0.925188D-01 -0.122762D+01  0.398638D+00 -0.743596D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.968213D+00 -0.122439D+00  0.228547D+01 -0.133536D+01  0.349045D+00
      2  -0.613906D+00  0.213726D+01  0.233944D+01 -0.937969D+00  0.289277D+01
      3  -0.118379D+01 -0.126547D+02 -0.198891D+01  0.493968D+01 -0.109826D+01
                 6             7             8             9            10 
      1  -0.204813D+01  0.618455D+01  0.260360D+01  0.179408D+01  0.152410D+00
      2  -0.470922D+01 -0.522999D+01 -0.930978D+01 -0.244241D+01  0.298884D+01
      3  -0.197609D+01 -0.273958D+00 -0.408661D+01  0.394286D+01 -0.536543D+00
                11            12            13            14            15 
      1   0.717043D+00 -0.172483D+01  0.123293D+01 -0.781315D+00 -0.250789D+01
      2   0.161806D+01 -0.783299D+00  0.136183D+01 -0.113228D+01 -0.177509D+01
      3  -0.244412D+01 -0.176685D+01  0.164723D+01  0.670533D+01  0.120873D-01
                16            17            18            19            20 
      1  -0.520090D+01  0.271819D+01 -0.149915D+01  0.547464D+00 -0.357033D+00
      2  -0.130041D+02 -0.113161D+01 -0.319717D+01  0.174524D+00 -0.125859D+01
      3  -0.401963D+01 -0.841540D+00  0.526006D+01 -0.643914D+01  0.683585D+01
                21            22            23            24            25 
      1  -0.672080D+00 -0.281008D+01 -0.129317D+01  0.129070D+01  0.957994D+00
      2  -0.168900D+01 -0.156365D+01  0.329079D+00  0.769897D+00 -0.129645D+02
      3   0.339490D+00  0.144913D+02  0.174485D+00  0.451483D+00 -0.346898D+00
                26            27            28            29            30 
      1   0.911292D+01  0.233522D+01 -0.955839D+00 -0.240813D+00  0.235101D+01
      2   0.371465D+00 -0.688831D-01  0.204992D+01  0.336507D-01 -0.782792D+00
      3   0.292963D+01 -0.493672D+00  0.654774D+01 -0.210133D+01  0.140259D+01
                31            32            33            34            35 
      1  -0.883883D+00 -0.351736D+00 -0.247794D+01  0.472518D+01  0.313081D+01
      2   0.313599D+01  0.101698D+01  0.120441D+01 -0.126404D+02  0.843956D+00
      3   0.671802D+01 -0.511830D+01  0.250443D+00  0.223448D+01 -0.698515D+00
                36            37            38            39            40 
      1  -0.773249D-01  0.822011D+00  0.635621D+00 -0.143943D+01  0.102038D+01
      2  -0.662184D+00  0.164159D+00  0.109711D+01  0.613691D+00  0.628900D+00
      3  -0.531932D+01 -0.368624D+01 -0.969334D+01 -0.181726D+01  0.589473D+01
                41            42            43            44            45 
      1   0.257626D-01 -0.236257D+01 -0.503211D+01  0.165673D+01 -0.695991D+00
      2  -0.264398D+01  0.477720D+01 -0.704256D+01  0.863097D+01  0.353504D+01
      3  -0.194904D+01  0.159477D+01 -0.409722D+00  0.188581D+01 -0.450291D+01
                46            47            48            49            50 
      1   0.856195D-01 -0.855069D+00 -0.489946D+00 -0.131574D+01 -0.242191D+01
      2  -0.133927D+00 -0.512688D-01  0.693684D+01 -0.322319D+01 -0.154153D+00
      3   0.595237D+00 -0.693446D+01  0.770887D-01  0.108140D+02  0.324477D+01
                51            52            53            54            55 
      1   0.159978D+01 -0.106395D+01  0.109312D+02  0.171164D+01 -0.169766D+01
      2  -0.381816D+00  0.720883D+01  0.626920D+00  0.199698D+01  0.125198D+01
      3   0.179050D+01  0.331176D+01  0.929988D+00  0.685630D+00  0.639003D+01
                56            57            58            59            60 
      1  -0.357031D+00  0.208182D+00 -0.205072D+01 -0.980762D+00  0.109636D+01
      2   0.205519D+01 -0.125101D+01  0.350563D+01  0.219858D+01 -0.593510D+01
      3   0.221200D+01 -0.118344D+01  0.132328D+02 -0.393597D+01  0.588118D+00
                61            62            63            64            65 
      1   0.400702D+01  0.670783D+01 -0.603647D+00 -0.283503D+01 -0.139492D+01
      2  -0.134154D+02 -0.787667D+01 -0.795665D+01  0.150486D+00 -0.165788D+01
      3  -0.151316D+01 -0.456926D+01  0.800347D+01  0.160468D+02 -0.855021D+01
                66            67            68            69            70 
      1   0.156431D+00 -0.676524D+00 -0.960048D+00 -0.885554D+00 -0.388912D+01
      2   0.397650D+01 -0.160371D+01  0.213251D+01  0.424849D+01 -0.380021D+01
      3   0.492708D+01  0.269449D+01  0.656068D+01 -0.247627D+01  0.464523D+01
                71            72            73            74            75 
      1   0.796431D+01  0.903701D+01  0.402936D+01 -0.193342D+01 -0.218682D+01
      2   0.543413D+01  0.105000D+02 -0.111007D+02 -0.464287D+01  0.617324D+01
      3  -0.157298D+01 -0.429718D+01 -0.927851D+01 -0.157176D+02  0.726919D+00
                76            77            78            79            80 
      1   0.642175D+00  0.814128D+01 -0.752302D+01 -0.113534D+01 -0.210176D+01
      2  -0.589297D+01 -0.404118D+00  0.683118D+01  0.131427D+01  0.673535D+01
      3  -0.892962D+01  0.166175D+02  0.328351D+00  0.173200D+01  0.203784D+01
                81            82            83            84            85 
      1  -0.777990D+01 -0.590983D+00  0.646326D+00 -0.145661D+00  0.114391D+01
      2   0.122930D+02 -0.194656D+01  0.105372D+01 -0.167229D+00  0.159939D+01
      3  -0.648579D+01  0.222241D+01  0.440751D+00 -0.730376D-01  0.102415D+01
                86            87            88            89            90 
      1  -0.208983D+01 -0.515045D+01  0.221133D+01 -0.315588D+01 -0.102377D+02
      2  -0.259967D+01 -0.588958D+01  0.116426D+00 -0.649660D+01 -0.109270D+02
      3   0.424850D+01  0.204866D+01  0.548272D+00  0.557207D+01  0.626681D+01
                91            92            93            94            95 
      1  -0.684565D+00  0.108379D+01 -0.462481D+00  0.101339D+01  0.813425D+00
      2   0.182189D+01  0.364973D+00  0.262202D+01 -0.317292D+00  0.174166D+01
      3  -0.160726D+01 -0.346625D+01 -0.298976D+00 -0.167720D+01 -0.182263D+01
                96            97            98            99           100 
      1  -0.101573D+01 -0.127649D+01  0.199872D+01 -0.147680D+01  0.119516D+01
      2   0.394963D+01  0.108179D+01  0.319546D+01  0.122512D+02 -0.231135D+01
      3  -0.337773D+01  0.109962D+00 -0.301953D+01 -0.427702D+01  0.989883D+00
               101           102           103           104           105 
      1   0.101496D+01  0.101348D+01  0.194678D+00  0.234026D+01  0.229553D+01
      2  -0.380194D-01 -0.218274D+01 -0.387102D+00 -0.276531D+01 -0.477616D+01
      3   0.116133D+01 -0.964985D+00  0.141458D+01  0.696666D+00  0.266378D+01
               106           107           108           109           110 
      1  -0.360163D+00  0.467151D+01  0.103781D+02 -0.205202D+01  0.153530D+01
      2  -0.268065D+01 -0.191408D+01 -0.181404D+02 -0.258778D+00  0.148256D+01
      3  -0.117494D+01  0.318824D+01  0.213794D+01 -0.750010D+01  0.665515D+01
               111           112           113           114           115 
      1   0.159388D+01  0.154301D+01 -0.584063D+01 -0.323197D+01  0.894665D+00
      2  -0.940453D+00  0.134114D+01 -0.261636D+01  0.178709D+01 -0.171887D+01
      3   0.138313D+00  0.907581D+01 -0.222098D+02  0.125990D+01  0.133567D+01
               116           117           118           119           120 
      1  -0.247000D+00  0.260405D+00 -0.737664D+00 -0.727660D+00 -0.193157D+01
      2   0.157694D+01 -0.103071D+01  0.760966D+01  0.903876D+00  0.621000D+01
      3  -0.333643D+00 -0.276843D+01  0.104222D+02 -0.414384D+01  0.597303D+00
               121           122           123           124           125 
      1  -0.708048D+00 -0.883141D+00 -0.444245D+00 -0.149525D+01  0.619104D+00
      2   0.139696D+01  0.864664D+00 -0.294518D+00  0.233261D+01 -0.161181D+00
      3  -0.494683D+00 -0.214519D+01 -0.340357D+00  0.432649D+00 -0.117717D+01
               126           127           128           129           130 
      1   0.532100D-01  0.982066D+00 -0.382812D+00  0.158027D+01  0.409991D-01
      2   0.417049D+00  0.144462D+01 -0.220777D+00 -0.840222D-01 -0.509626D+00
      3   0.158541D+01 -0.999944D+01  0.455570D+01 -0.406307D+00  0.764986D+01
               131           132           133           134           135 
      1  -0.296174D-01 -0.321038D+01 -0.346667D+00  0.148810D+01  0.486106D-01
      2   0.779236D+00 -0.643944D+00 -0.158802D+01  0.367330D+00  0.287051D-01
      3  -0.667059D+01 -0.665525D+00 -0.552482D+00  0.277062D-01  0.320070D-01
               136           137           138           139           140 
      1  -0.214164D+00 -0.795185D-02 -0.197343D+01 -0.179680D+00  0.394788D+00
      2   0.502598D+00  0.731765D+00  0.211246D+01  0.687375D+00  0.256764D+01
      3  -0.101982D+01 -0.294196D+01 -0.441817D+00 -0.213089D+01 -0.131431D+02
               141           142           143           144           145 
      1  -0.405081D+01  0.539391D+00  0.181862D+01 -0.427863D+00 -0.109760D+00
      2   0.357151D+01 -0.386889D+00  0.114756D-01  0.663776D+00  0.180859D+01
      3  -0.221585D+01 -0.635444D+00 -0.273029D+01 -0.415247D+00  0.213149D+00
               146           147           148           149           150 
      1   0.408143D+00 -0.207434D+00  0.203124D+00 -0.230461D-01 -0.279172D+00
      2  -0.144991D+00  0.653848D+01  0.124136D+01  0.372726D+00  0.369937D+00
      3  -0.522905D+01  0.252234D+00 -0.414913D+01 -0.260648D+00 -0.453742D+00
               151           152           153           154           155 
      1   0.123491D+00  0.602350D+00 -0.242478D-01  0.278273D+00 -0.665830D+00
      2  -0.235915D+01  0.329982D-01  0.646375D+00  0.266084D+00 -0.375351D+00
      3  -0.113836D+01 -0.548331D+00 -0.271189D+00  0.142343D+01 -0.443173D+01
               156           157           158           159           160 
      1   0.206395D+01  0.269409D+00  0.165658D+00 -0.361905D+01 -0.784192D+00
      2   0.235764D+01  0.544248D+00 -0.106725D+01 -0.334733D+01 -0.571271D+00
      3  -0.425505D-01 -0.325349D+01  0.121936D+02  0.110741D+01 -0.802709D+00
               161           162           163           164           165 
      1   0.139095D+01 -0.298551D+00  0.715274D+00  0.394012D+00 -0.165870D+01
      2   0.286710D+00 -0.451466D+00 -0.160429D+01 -0.103437D+01  0.904522D-01
      3   0.213961D+01  0.501762D+00  0.793087D+01  0.473220D+01  0.841912D+00
               166           167           168           169           170 
      1   0.532068D+00  0.973900D+00 -0.363270D+01  0.400458D+00  0.224341D+01
      2  -0.156290D+01 -0.160683D+01  0.306437D+00 -0.193642D+01 -0.682680D+00
      3   0.774809D+01  0.822277D+01  0.182491D+01  0.139370D+01  0.243699D+01
               171           172           173           174           175 
      1  -0.400914D+00  0.203826D+01  0.609782D+00  0.163969D+01  0.839972D+00
      2   0.669259D-01 -0.979888D+00  0.950234D-01  0.421581D+01  0.555591D+00
      3   0.370404D+00 -0.119573D+02 -0.298271D+01 -0.246926D+01 -0.395288D+00
               176           177           178           179           180 
      1   0.302006D+00 -0.148800D+00  0.966503D+00  0.544571D+00  0.542490D-01
      2   0.941178D-01 -0.630325D-01  0.969949D+00 -0.970476D+00  0.120187D+01
      3   0.118561D+00 -0.113878D+01 -0.487642D+01 -0.157002D+01  0.443935D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.267145D+01  0.226811D+02  0.461278D+01 -0.231745D+02  0.739822D+01
      2  -0.518582D+01 -0.137262D+02 -0.516955D+00  0.225620D+02 -0.121719D+02
      3   0.251437D+01 -0.895487D+01 -0.409582D+01  0.612531D+00  0.477368D+01
      4   0.203961D+02  0.866307D+00  0.385737D+01  0.543997D+01  0.129664D+02
      5   0.923608D+00  0.359369D+01  0.524827D+01 -0.325552D+01  0.732719D+01
      6   0.210118D+01 -0.290126D+01 -0.511490D+01  0.597727D+01 -0.553417D+01
                 6             7             8             9            10 
      1   0.122154D+01 -0.652960D+01  0.592237D+01  0.532117D+00  0.764363D+01
      2  -0.126935D+01  0.800126D+01 -0.831621D+01 -0.633684D+01 -0.647947D+01
      3   0.478151D-01 -0.147167D+01  0.239384D+01  0.580472D+01 -0.116416D+01
      4   0.791995D+01  0.165622D+01  0.767902D+01 -0.132366D+02 -0.138434D+02
      5  -0.932133D+01  0.170266D+02 -0.139280D+02 -0.609581D+01 -0.964833D+00
      6   0.479194D+01 -0.709680D+01  0.121767D+02 -0.213140D+01 -0.288636D+01
                11            12            13            14            15 
      1  -0.136690D+02 -0.278682D+00  0.155275D+01  0.875335D+01  0.484387D+01
      2   0.110972D+02 -0.473294D+00 -0.885689D+01 -0.114661D+02 -0.599722D+01
      3   0.257186D+01  0.751976D+00  0.730414D+01  0.271270D+01  0.115335D+01
      4  -0.162055D+02 -0.393736D+01  0.116271D+02 -0.119145D+02 -0.133852D+01
      5  -0.381407D+01 -0.363302D+01  0.125683D+01 -0.137597D+01 -0.151447D+01
      6  -0.156264D+01  0.343589D+01 -0.480387D+01 -0.878311D+01  0.312760D+01
                16            17            18            19            20 
      1   0.198006D+01  0.198985D+01 -0.148739D+02 -0.229526D+02 -0.185093D+00
      2  -0.431355D+01 -0.689167D+01 -0.314390D+00  0.828886D+01 -0.102201D+00
      3   0.233349D+01  0.490183D+01  0.151883D+02  0.146637D+02  0.287293D+00
      4   0.195701D+00 -0.373467D+01 -0.602521D+01  0.115989D+02  0.274823D+01
      5   0.412468D+00 -0.476096D+01 -0.585811D+01  0.850973D-01  0.298576D+00
      6   0.310515D+01  0.119443D+02  0.541688D+01 -0.933040D+00 -0.139251D-01
                21            22            23            24            25 
      1   0.129302D+00  0.113039D+01 -0.993999D+01 -0.915410D-01 -0.725333D+01
      2  -0.642596D+00 -0.191028D+01  0.141824D+02  0.399256D+01  0.197332D+01
      3   0.513295D+00  0.779890D+00 -0.424241D+01 -0.390101D+01  0.528001D+01
      4   0.651299D+00 -0.125785D+02 -0.319937D+01 -0.183513D+01 -0.344841D+01
      5  -0.415647D+00 -0.356189D+01 -0.121553D+01  0.139564D+01  0.246769D+01
      6   0.559841D+00 -0.269415D+01  0.257488D+01 -0.208517D+01 -0.943704D+00
                26            27            28            29            30 
      1  -0.130772D+01 -0.102093D+02  0.513042D+01  0.162083D+02  0.467754D+01
      2   0.183578D+01 -0.277284D+01 -0.532048D+01 -0.121568D+02 -0.152574D+01
      3  -0.528052D+00  0.129821D+02  0.190058D+00 -0.405144D+01 -0.315180D+01
      4  -0.308145D+01  0.245437D+01  0.911966D+01 -0.974368D+01  0.341273D+00
      5   0.181111D+01 -0.411182D+00  0.193224D+01  0.690079D-01 -0.120035D+01
      6   0.445887D+01 -0.390607D+01  0.331150D+01 -0.315895D+01 -0.455751D+01
                31            32            33            34            35 
      1  -0.173316D+01  0.429597D+01  0.256963D+01  0.618273D-01  0.408358D+01
      2   0.104733D+02 -0.814757D+01 -0.202908D+01  0.249609D+01 -0.535712D+01
      3  -0.874015D+01  0.385160D+01 -0.540553D+00 -0.255792D+01  0.127354D+01
      4   0.546457D+01  0.141157D+02  0.211919D+01  0.138252D+01 -0.162512D+01
      5   0.138211D+01  0.203262D+01  0.130983D+01  0.382650D+01  0.335950D+01
      6   0.546197D+01 -0.346279D+01  0.575337D+01 -0.280451D+01  0.135933D+02
                36            37            38            39            40 
      1  -0.139906D+02  0.372512D+01 -0.214112D+02 -0.248859D+01  0.229961D+02
      2   0.184981D+01 -0.387519D+01  0.141151D+02  0.120021D+01 -0.214065D+02
      3   0.121408D+02  0.150064D+00  0.729611D+01  0.128838D+01 -0.158960D+01
      4   0.337397D+01 -0.141393D+02 -0.669806D+01 -0.537673D+01  0.652390D+01
      5  -0.150027D+01 -0.422454D+01 -0.511713D+01 -0.301176D+00 -0.777116D+00
      6   0.929824D+00 -0.566659D+01 -0.156417D+01  0.343957D+01 -0.437927D+01
                41            42            43            44            45 
      1   0.111532D+02  0.238946D+01  0.249442D+01 -0.265419D+01 -0.443528D+01
      2  -0.149058D+02 -0.524138D+01 -0.620832D+01 -0.512293D+01 -0.512052D+01
      3   0.375265D+01  0.285192D+01  0.371390D+01  0.777712D+01  0.955580D+01
      4  -0.562253D+01 -0.526390D+01 -0.525219D+01 -0.927818D+01  0.136738D+02
      5  -0.534764D+01  0.976018D+01  0.126496D+02  0.143787D+02  0.694083D+01
      6  -0.864445D+01  0.392584D+01  0.615903D+01  0.130147D+02  0.228856D+01
                46            47            48            49            50 
      1  -0.131064D+02 -0.868311D+00 -0.628612D+01  0.414355D+01 -0.221524D+02
      2   0.833602D+01  0.681359D+00  0.376090D+01 -0.252467D+01  0.187960D+02
      3   0.477034D+01  0.186952D+00  0.252522D+01 -0.161887D+01  0.335641D+01
      4  -0.142123D+01  0.217468D+02  0.974635D+00 -0.205745D+02 -0.630811D+01
      5  -0.788988D+01  0.846675D+00  0.147545D+02 -0.969897D+01 -0.286936D+01
      6   0.111235D+01  0.742161D+00  0.112849D+01 -0.288828D+01  0.357889D+01
                51            52            53            54            55 
      1  -0.621015D+01 -0.873315D+01 -0.650082D+01  0.125676D+02  0.157521D+02
      2   0.789802D+01  0.329076D+01  0.565711D+01 -0.171314D+02 -0.640556D+01
      3  -0.168788D+01  0.544239D+01  0.843712D+00  0.456379D+01 -0.934659D+01
      4  -0.354113D+01 -0.106177D+02  0.590222D+00 -0.497395D+00 -0.713572D+01
      5  -0.973869D+00  0.337869D+02  0.288077D+00  0.491799D+01  0.135602D+00
      6  -0.311362D+01  0.285432D+00  0.465713D+01 -0.263770D+01 -0.231392D+00
                56            57            58            59            60 
      1  -0.227270D+00  0.816414D+00  0.249720D+01 -0.696885D+01  0.168629D+01
      2   0.304914D+01  0.130188D+00  0.350355D+01  0.356256D+01  0.436257D+00
      3  -0.282187D+01 -0.946602D+00 -0.600075D+01  0.340629D+01 -0.212254D+01
      4  -0.164244D+02  0.459628D+01 -0.269122D+02 -0.178206D+01  0.242376D+01
      5   0.492101D+01 -0.111406D+02  0.732868D+01  0.153706D+01 -0.154874D+02
      6   0.103734D+01 -0.109513D+01  0.324628D+01  0.561949D+01 -0.102962D+02
                61            62            63            64            65 
      1   0.106193D+02  0.609517D+01  0.701138D+00 -0.367133D+02  0.557894D+01
      2   0.197358D+01  0.138820D+01  0.898471D+01  0.227316D+02 -0.616938D+01
      3  -0.125929D+02 -0.748337D+01 -0.968584D+01  0.139817D+02  0.590443D+00
      4   0.103028D+02  0.971663D+01 -0.203526D+02  0.913218D+01  0.114441D+02
      5  -0.184910D+02 -0.185359D+02 -0.209806D+02 -0.120018D+02 -0.457286D+01
      6  -0.983125D+01 -0.427006D+01 -0.615015D+01  0.263666D+01  0.300772D+01
                66            67            68            69            70 
      1  -0.962855D+01 -0.276452D+01 -0.162583D+01 -0.844123D+00 -0.870194D+01
      2   0.665519D+01 -0.218121D+01  0.142437D+02 -0.108258D+01  0.716133D+01
      3   0.297336D+01  0.494574D+01 -0.126179D+02  0.192671D+01  0.154061D+01
      4  -0.345987D+01  0.196305D+02 -0.196456D+02  0.781023D+01 -0.673906D+01
      5   0.397617D+01 -0.944196D+01  0.715266D+01  0.767729D+01  0.251269D+01
      6  -0.137021D+01  0.291093D+01 -0.813059D+01  0.261021D+01  0.186552D+01
                71            72            73            74            75 
      1   0.827782D+00 -0.141759D+01 -0.544989D+02 -0.163047D+02 -0.227798D+01
      2  -0.181513D+01 -0.665600D+01  0.223447D+02  0.150367D+02  0.416785D+01
      3   0.987346D+00  0.807359D+01  0.321542D+02  0.126804D+01 -0.188987D+01
      4   0.884166D+01  0.716272D+01 -0.199644D+02  0.128482D+02 -0.568018D+01
      5   0.669100D+01  0.217896D+02 -0.209658D+01 -0.297217D+01  0.921467D+01
      6  -0.495523D+00 -0.151930D+02 -0.401929D+01 -0.475417D+01  0.340396D+01
                76            77            78            79            80 
      1  -0.966703D+01  0.199901D+02  0.226443D+01 -0.107623D+02 -0.177296D+00
      2   0.882975D+01 -0.228226D+02  0.538250D+01  0.503616D+01  0.257733D+01
      3   0.837285D+00  0.283252D+01 -0.764693D+01  0.572616D+01 -0.240004D+01
      4   0.178907D+02 -0.443901D+01 -0.518672D+01 -0.146675D+02 -0.101309D+02
      5  -0.767300D+01 -0.783432D+01  0.142952D+02  0.133035D+02  0.156520D+02
      6  -0.601001D+01 -0.306082D+01  0.770724D+01  0.703788D+01  0.788651D+01
                81            82            83            84            85 
      1   0.121375D+02  0.195602D+01 -0.338037D+01 -0.224625D+01 -0.440214D+01
      2   0.880938D+01 -0.758077D+00  0.125901D+01  0.475161D+00  0.106205D+01
      3  -0.209469D+02 -0.119795D+01  0.212136D+01  0.177109D+01  0.334009D+01
      4   0.193399D+02 -0.396544D+01  0.136090D+01  0.317024D+01  0.539603D+01
      5   0.165884D+02 -0.288448D+01  0.250424D+01  0.682054D+00  0.369489D+01
      6   0.103882D+01  0.195682D+01 -0.118968D+01  0.152792D+00 -0.224123D+01
                86            87            88            89            90 
      1  -0.354245D+01 -0.321936D+00 -0.608171D+01 -0.118817D+01 -0.595184D+01
      2   0.509547D+01  0.251450D+01  0.240898D+01  0.324049D+01  0.263515D+01
      3  -0.155302D+01 -0.219256D+01  0.367273D+01 -0.205232D+01  0.331669D+01
      4  -0.967739D+01 -0.593942D+01  0.827773D+01 -0.117889D+02 -0.120438D+02
      5  -0.519017D+01 -0.112218D+02  0.640316D+01 -0.122907D+02 -0.224038D+02
      6   0.466143D+01  0.956237D+01 -0.313991D+01  0.103461D+02  0.150040D+02
                91            92            93            94            95 
      1   0.358014D+01  0.131186D+01  0.413987D+01  0.808272D+00 -0.262207D+01
      2  -0.583501D+01 -0.132587D+01 -0.450639D+01 -0.211887D+01 -0.482865D+00
      3   0.225487D+01  0.140051D-01  0.366511D+00  0.131060D+01  0.310493D+01
      4   0.451314D+01  0.652436D+01  0.239327D+01  0.933237D+01  0.621969D+01
      5   0.970672D+01  0.240854D+01  0.121551D+02  0.361165D+01  0.654805D+01
      6   0.311968D+01  0.348572D+00  0.177153D+01  0.219736D+01  0.471947D+01
                96            97            98            99           100 
      1  -0.306236D+01  0.234117D+01 -0.334350D+01 -0.108221D+02  0.320873D+01
      2  -0.945584D+00 -0.826726D+01 -0.233084D+01 -0.145924D+02 -0.423531D+01
      3   0.400794D+01  0.592609D+01  0.567434D+01  0.254145D+02  0.102659D+01
      4   0.691515D+01  0.300265D+01  0.666542D+01  0.915594D+01  0.829485D+00
      5   0.918041D+01  0.178982D+02  0.871471D+01  0.318077D+02 -0.315836D+01
      6   0.947329D+01  0.470959D+01  0.670440D+01  0.116316D+02 -0.236465D+00
               101           102           103           104           105 
      1   0.109891D+01 -0.650865D+01 -0.189808D+01 -0.467774D+01 -0.186898D+01
      2  -0.164617D+01  0.907056D+00  0.138417D+01  0.631539D+00 -0.563369D+01
      3   0.547263D+00  0.560159D+01  0.513907D+00  0.404620D+01  0.750267D+01
      4  -0.188548D+01 -0.753966D+00 -0.789204D+00 -0.313923D+01 -0.485916D+01
      5   0.841133D+00  0.108922D+01  0.353942D+01 -0.361294D+01 -0.880859D+01
      6   0.149015D+01 -0.119929D+01  0.179523D+00  0.165797D+01  0.320437D+01
               106           107           108           109           110 
      1  -0.541623D+01 -0.291358D+00 -0.172400D+02 -0.281127D+01  0.975930D+01
      2   0.406494D+01 -0.387354D+01 -0.176631D+02  0.572290D+01 -0.103351D+02
      3   0.135129D+01  0.416489D+01  0.349031D+02 -0.291164D+01  0.575764D+00
      4  -0.191410D+01 -0.615550D+01 -0.482643D+01  0.131343D+01 -0.211761D+01
      5   0.776851D+01 -0.226857D+01 -0.309902D+02  0.211609D+01 -0.335938D+00
      6   0.890867D+00  0.406911D+01 -0.942988D+01 -0.473517D-01  0.242317D+01
               111           112           113           114           115 
      1  -0.617334D+00  0.946237D+01 -0.270242D+02  0.232733D+01  0.208446D+01
      2  -0.397244D+00 -0.742298D+01  0.405831D+02 -0.143281D+01 -0.148930D+01
      3   0.101458D+01 -0.203939D+01 -0.135588D+02 -0.894516D+00 -0.595159D+00
      4   0.133931D+01  0.365799D+01  0.296803D+02 -0.264156D+01  0.230175D+01
      5  -0.212594D+01 -0.261757D+01 -0.379326D+00  0.364037D+01 -0.554823D+00
      6  -0.265980D+01  0.707243D+00 -0.870715D+01  0.647937D+01 -0.178784D+01
               116           117           118           119           120 
      1   0.151015D+01 -0.610232D+01  0.814110D+02  0.117153D+02  0.221306D+01
      2   0.174504D+00  0.360665D+01 -0.382286D+02 -0.278875D+01  0.287950D+00
      3  -0.168465D+01  0.249567D+01 -0.431824D+02 -0.892659D+01 -0.250101D+01
      4   0.977588D+00  0.162789D+01  0.345821D+02  0.165176D+02 -0.175296D+00
      5   0.243085D+01 -0.116480D+01 -0.957824D+01 -0.213129D+01  0.104596D+02
      6   0.656129D+01 -0.117722D+01 -0.374987D+00 -0.149655D+01  0.368018D+01
               121           122           123           124           125 
      1   0.358540D+01  0.604940D+01  0.659271D-01  0.879239D+01  0.685152D+00
      2   0.137017D+01  0.474321D+00 -0.356009D+00 -0.326461D+01  0.335295D+00
      3  -0.495557D+01 -0.652372D+01  0.290082D+00 -0.552779D+01 -0.102045D+01
      4   0.137957D+02  0.844707D+01  0.758438D+00  0.424865D+01  0.348585D+01
      5   0.192508D+00 -0.942113D-01 -0.522850D+00  0.104992D+02  0.726318D+00
      6  -0.921718D+00 -0.470389D+00  0.769426D+00  0.349266D+01  0.948563D+00
               126           127           128           129           130 
      1   0.643392D+01 -0.368301D+01  0.649781D+01  0.953031D+00  0.792083D+01
      2  -0.545153D+01  0.603630D+01 -0.930054D+01 -0.672173D+00 -0.109533D+02
      3  -0.982396D+00 -0.235329D+01  0.280273D+01 -0.280858D+00  0.303242D+01
      4   0.184273D+01 -0.786067D+01  0.664491D+01  0.615440D+00  0.682019D+01
      5   0.657053D-01 -0.676547D-01  0.912695D+00  0.445791D+00  0.737857D+00
      6   0.630957D+00 -0.577164D+00 -0.304289D+00 -0.192519D+01 -0.797084D+00
               131           132           133           134           135 
      1  -0.240232D+02 -0.237065D+01  0.507938D+00 -0.170644D+01 -0.112843D+01
      2   0.327130D+02  0.183749D+01 -0.825895D+00  0.222717D+01  0.171284D+01
      3  -0.868979D+01  0.533160D+00  0.317956D+00 -0.520732D+00 -0.584412D+00
      4  -0.598631D+01 -0.356917D+00  0.135148D+00  0.891412D-01 -0.161644D+01
      5  -0.915684D+00 -0.830730D+00  0.781010D+00 -0.935022D+00  0.826056D-01
      6   0.267385D+01  0.518341D+01 -0.913532D+00  0.230546D+01  0.571653D+00
               136           137           138           139           140 
      1   0.871391D+01  0.693731D+01  0.126864D+01  0.103979D+01 -0.103341D+02
      2   0.203907D+01  0.423208D+01 -0.705364D-01  0.106364D+02  0.314347D+02
      3  -0.107530D+02 -0.111694D+02 -0.119811D+01 -0.116762D+02 -0.211007D+02
      4   0.231966D+02  0.259102D+02  0.520001D+01  0.276092D+02  0.477267D+02
      5   0.489246D+01  0.493227D+01  0.525801D+01  0.503570D+01  0.786093D+01
      6   0.352604D+01  0.384964D+01  0.336490D+01  0.495107D+01  0.102650D+02
               141           142           143           144           145 
      1  -0.217224D+01  0.871532D+00 -0.137070D+01 -0.125073D+01  0.101305D+03
      2   0.374996D+01  0.140159D+01  0.471516D+01  0.254181D+01 -0.583289D+02
      3  -0.157772D+01 -0.227313D+01 -0.334445D+01 -0.129108D+01 -0.429765D+02
      4   0.848079D+01  0.667675D+01  0.100764D+02  0.428648D+01  0.412635D+01
      5   0.646096D+01  0.254554D+01  0.350974D+01  0.238484D+01  0.116761D+02
      6   0.829614D+01  0.255148D+01  0.495878D+01  0.297149D+01 -0.199579D+01
               146           147           148           149           150 
      1   0.292570D+01  0.780455D+01  0.169086D+01  0.964472D+01  0.118216D+01
      2  -0.145296D+01 -0.549560D+01 -0.742441D+00 -0.478925D+01 -0.100209D+01
      3  -0.147275D+01 -0.230895D+01 -0.948420D+00 -0.485547D+01 -0.180068D+00
      4   0.858123D+01 -0.602754D-01  0.151214D+02  0.119175D+01  0.145418D+01
      5  -0.423550D-01  0.117486D+02  0.235676D+01  0.149022D+01  0.527537D+00
      6   0.558187D+00 -0.952788D-02  0.105821D+01 -0.153017D+00  0.143952D+01
               151           152           153           154           155 
      1   0.100497D+02  0.139993D+01  0.472662D+01  0.157950D+02 -0.106150D+02
      2  -0.609461D+01 -0.868697D+00 -0.302228D+01 -0.686796D+00 -0.310475D+01
      3  -0.395510D+01 -0.531237D+00 -0.170434D+01 -0.151082D+02  0.137197D+02
      4   0.251939D+01  0.115725D+01  0.407282D+00 -0.292817D+02  0.294892D+02
      5   0.497063D+01  0.225130D+00  0.253026D+01 -0.377508D+01  0.284059D+01
      6  -0.278290D-01  0.711126D+00  0.311393D+00  0.132126D+01 -0.103596D+01
               156           157           158           159           160 
      1  -0.145521D+01 -0.565926D+01 -0.175221D+01  0.415138D-01  0.181332D+00
      2   0.455865D+00 -0.884129D+01  0.233418D+02  0.107686D+01 -0.144048D+01
      3   0.999344D+00  0.145006D+02 -0.215896D+02 -0.111837D+01  0.125915D+01
      4   0.259634D+01  0.324298D+02 -0.474445D+02 -0.545813D+01  0.380941D+01
      5   0.515757D+01  0.487644D+01 -0.623571D+01 -0.601462D+01  0.234770D+01
      6  -0.304543D+01 -0.302524D+01  0.473466D+01  0.632770D+01 -0.193246D+01
               161           162           163           164           165 
      1  -0.926864D+00 -0.558828D+00 -0.532694D+01 -0.738293D+01 -0.262435D+01
      2   0.278258D+01  0.172918D+01  0.652040D+01  0.856814D+01  0.159998D+01
      3  -0.185572D+01 -0.117035D+01 -0.119346D+01 -0.118521D+01  0.102436D+01
      4  -0.586451D+01 -0.362173D+01  0.521047D+01  0.691662D+01  0.123036D+01
      5  -0.265171D+01 -0.135046D+01  0.470155D+00  0.832164D+00  0.128200D+01
      6   0.339493D+01  0.167848D+01  0.258934D+01  0.371141D+01  0.280732D+01
               166           167           168           169           170 
      1  -0.790532D+01 -0.282354D+02 -0.705991D+01 -0.233500D+01 -0.668358D+01
      2   0.995229D+01  0.359812D+02  0.617639D+01  0.245960D+01  0.726547D+01
      3  -0.204697D+01 -0.774577D+01  0.883515D+00 -0.124594D+00 -0.581886D+00
      4   0.586096D+01  0.178245D+01  0.209953D-01  0.143805D+01  0.779908D+00
      5   0.647587D+00 -0.693352D+00  0.144568D+00  0.115022D+01  0.689716D+00
      6   0.326223D+01  0.112972D+02  0.805790D+01  0.152536D+01  0.475481D+01
               171           172           173           174           175 
      1  -0.309923D+01  0.649844D+02 -0.955881D+01  0.112097D+02 -0.179464D+00
      2   0.315004D+01 -0.350732D+02  0.351418D+01 -0.704640D+01 -0.170341D+01
      3  -0.508097D-01 -0.299112D+02  0.604462D+01 -0.416325D+01  0.188287D+01
      4   0.199852D+01 -0.255727D+02  0.108857D+02 -0.322039D+01  0.684288D+01
      5   0.103252D+01  0.172633D+02 -0.171302D+01  0.995264D+01  0.236558D+01
      6   0.329346D+01 -0.470641D+01  0.813233D+00 -0.276749D+01  0.368616D+00
               176           177           178           179           180 
      1   0.267368D+01  0.254190D+01  0.141226D+02  0.768827D+00  0.557634D+01
      2  -0.374045D+00 -0.233907D+01 -0.100702D+02 -0.490796D+00 -0.436316D+01
      3  -0.229964D+01 -0.202832D+00 -0.405242D+01 -0.278031D+00 -0.121318D+01
      4  -0.213762D+01  0.107774D+01 -0.330771D+01  0.160014D+01 -0.310341D+01
      5   0.181548D+01  0.303697D+00  0.112845D+02 -0.227209D+01  0.517475D+01
      6  -0.534525D+00  0.139262D+01 -0.231124D+01  0.168926D+01 -0.839974D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:01:40 2021, MaxMem=  5368709120 cpu:            6746.1 elap:             845.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.59913 -10.47464 -10.44664 -10.44027 -10.43896
 Alpha  occ. eigenvalues --  -10.43873 -10.43767 -10.43445 -10.43216  -1.03075
 Alpha  occ. eigenvalues --   -0.98621  -0.89429  -0.87233  -0.84702  -0.75685
 Alpha  occ. eigenvalues --   -0.72443  -0.69449  -0.64681  -0.61066  -0.57732
 Alpha  occ. eigenvalues --   -0.56036  -0.54407  -0.53355  -0.52737  -0.52193
 Alpha  occ. eigenvalues --   -0.49365  -0.48244  -0.46395  -0.43926  -0.43236
 Alpha  occ. eigenvalues --   -0.35860  -0.34704  -0.33693
 Alpha virt. eigenvalues --    0.04884   0.06445   0.06720   0.07162   0.07315
 Alpha virt. eigenvalues --    0.08711   0.09152   0.09854   0.11845   0.13081
 Alpha virt. eigenvalues --    0.13990   0.15884   0.17582   0.18504   0.18712
 Alpha virt. eigenvalues --    0.19228   0.20219   0.21170   0.21900   0.22224
 Alpha virt. eigenvalues --    0.23295   0.24121   0.24528   0.24936   0.26083
 Alpha virt. eigenvalues --    0.27177   0.27994   0.28361   0.29809   0.30274
 Alpha virt. eigenvalues --    0.30689   0.31557   0.31799   0.32374   0.32797
 Alpha virt. eigenvalues --    0.33434   0.34611   0.35531   0.35987   0.36536
 Alpha virt. eigenvalues --    0.36642   0.37430   0.37768   0.38140   0.39100
 Alpha virt. eigenvalues --    0.39947   0.40376   0.40727   0.41123   0.41762
 Alpha virt. eigenvalues --    0.42166   0.42491   0.43127   0.43826   0.44095
 Alpha virt. eigenvalues --    0.44654   0.45073   0.45926   0.45978   0.46311
 Alpha virt. eigenvalues --    0.47007   0.47449   0.47601   0.48076   0.48923
 Alpha virt. eigenvalues --    0.49744   0.50042   0.50833   0.51679   0.52572
 Alpha virt. eigenvalues --    0.53263   0.53950   0.54934   0.55589   0.55931
 Alpha virt. eigenvalues --    0.57283   0.58316   0.58459   0.59833   0.60179
 Alpha virt. eigenvalues --    0.60870   0.62024   0.62337   0.63305   0.64031
 Alpha virt. eigenvalues --    0.64800   0.65298   0.66208   0.67912   0.69146
 Alpha virt. eigenvalues --    0.69800   0.71235   0.71752   0.72275   0.73262
 Alpha virt. eigenvalues --    0.74102   0.74815   0.75229   0.75942   0.78243
 Alpha virt. eigenvalues --    0.79796   0.80625   0.81398   0.82063   0.82908
 Alpha virt. eigenvalues --    0.84073   0.86329   0.86721   0.87610   0.91131
 Alpha virt. eigenvalues --    0.95881   0.96685   0.99911   1.01443   1.03119
 Alpha virt. eigenvalues --    1.04106   1.05249   1.05471   1.06688   1.07369
 Alpha virt. eigenvalues --    1.07676   1.09417   1.10726   1.11850   1.12894
 Alpha virt. eigenvalues --    1.14459   1.16247   1.17620   1.18223   1.20053
 Alpha virt. eigenvalues --    1.20590   1.21549   1.22485   1.24062   1.25677
 Alpha virt. eigenvalues --    1.26943   1.28426   1.29845   1.30345   1.31741
 Alpha virt. eigenvalues --    1.32688   1.33421   1.36418   1.37817   1.38706
 Alpha virt. eigenvalues --    1.42916   1.45167   1.46433   1.48235   1.50462
 Alpha virt. eigenvalues --    1.54985   1.56567   1.59742   1.62558   1.66553
 Alpha virt. eigenvalues --    1.69115   1.69552   1.70826   1.73016   1.75496
 Alpha virt. eigenvalues --    1.76790   1.77511   1.79694   1.83905   1.85198
 Alpha virt. eigenvalues --    1.87457   1.89022   1.89147   1.92158   1.94022
 Alpha virt. eigenvalues --    1.96129   1.97076   1.98534   1.99894   2.00962
 Alpha virt. eigenvalues --    2.02645   2.04855   2.05689   2.07361   2.08460
 Alpha virt. eigenvalues --    2.10492   2.11218   2.12131   2.12925   2.14452
 Alpha virt. eigenvalues --    2.17703   2.19586   2.20424   2.21072   2.24988
 Alpha virt. eigenvalues --    2.25690   2.27015   2.29015   2.31315   2.33903
 Alpha virt. eigenvalues --    2.36529   2.37719   2.41233   2.43189   2.45869
 Alpha virt. eigenvalues --    2.47273   2.49362   2.50260   2.52368   2.55225
 Alpha virt. eigenvalues --    2.55709   2.57778   2.59390   2.65247   2.68297
 Alpha virt. eigenvalues --    2.69549   2.73780   2.75065   2.78419   2.81875
 Alpha virt. eigenvalues --    2.91935   2.92377   2.93858   2.94983   2.95472
 Alpha virt. eigenvalues --    2.98215   3.03767   3.08684   3.09875   3.12480
 Alpha virt. eigenvalues --    3.16848   3.18481   3.23105   3.24191   3.29078
 Alpha virt. eigenvalues --    3.31837   3.40201   3.49415   3.68594   3.79271
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.997679  -1.304831   0.544728  -0.290322   0.528709  -0.335615
     2  C   -1.304831   8.294033  -0.752508   0.226389  -0.258464   0.505905
     3  C    0.544728  -0.752508   9.651460  -0.638057   0.573118  -0.185646
     4  C   -0.290322   0.226389  -0.638057   8.395390  -0.972380   0.528904
     5  C    0.528709  -0.258464   0.573118  -0.972380   7.764586  -0.195979
     6  C   -0.335615   0.505905  -0.185646   0.528904  -0.195979   6.815049
     7  C    0.109319  -0.459911  -0.108810  -0.606130   0.059859   0.041768
     8  N   -0.000875  -0.013815  -0.126826  -0.182721   0.039258   0.004141
     9  C   -0.005690  -0.015311  -0.105161   0.058132  -0.002016   0.001472
    10  H    0.000748   0.003220   0.006415  -0.057031   0.003566  -0.000144
    11  H    0.000103  -0.037706  -0.103059   0.107189  -0.000931  -0.003765
    12  H   -0.005400  -0.005113  -0.038506   0.015212   0.001524   0.000604
    13  H    0.006350  -0.010214  -0.105016  -0.017187  -0.001846   0.000456
    14  H    0.000736  -0.015257   0.019268  -0.013947  -0.000490  -0.000053
    15  H    0.209774   0.061985  -1.364226   0.206008  -0.749666  -0.044040
    16  H   -0.051302   0.155930   0.012364  -0.369380  -0.079706  -0.503025
    17  H   -0.403864   0.020301   0.139813  -0.031662  -0.397880   0.156550
    18  H   -0.013281  -0.434133   0.079993   0.198279  -0.071970  -0.516062
    19  H   -0.567503   0.461242  -1.021426  -0.032819   0.210426  -0.023038
    20  H   -0.000187   0.011420   0.046921   0.068607  -0.003549  -0.000450
               7          8          9         10         11         12
     1  C    0.109319  -0.000875  -0.005690   0.000748   0.000103  -0.005400
     2  C   -0.459911  -0.013815  -0.015311   0.003220  -0.037706  -0.005113
     3  C   -0.108810  -0.126826  -0.105161   0.006415  -0.103059  -0.038506
     4  C   -0.606130  -0.182721   0.058132  -0.057031   0.107189   0.015212
     5  C    0.059859   0.039258  -0.002016   0.003566  -0.000931   0.001524
     6  C    0.041768   0.004141   0.001472  -0.000144  -0.003765   0.000604
     7  C    6.184844   0.404126   0.249149   0.180945   0.032850   0.157536
     8  N    0.404126   7.645353  -0.052775  -0.098395  -0.092185  -0.015080
     9  C    0.249149  -0.052775   4.381364  -0.049421   0.076524   0.266017
    10  H    0.180945  -0.098395  -0.049421   0.954205   0.003702  -0.006934
    11  H    0.032850  -0.092185   0.076524   0.003702   1.018325  -0.021041
    12  H    0.157536  -0.015080   0.266017  -0.006934  -0.021041   0.841260
    13  H    0.063559   0.005298   0.320184   0.002509   0.009196  -0.096091
    14  H    0.095247   0.019879   0.264439  -0.001138  -0.022481  -0.070879
    15  H   -0.361141  -0.348065   0.000728  -0.037589   0.025881   0.000802
    16  H   -0.001917   0.003692   0.000159  -0.000111  -0.000337  -0.000264
    17  H   -0.001792  -0.000371  -0.000107   0.000032   0.000149   0.000032
    18  H   -0.001409   0.000653  -0.000364  -0.000052  -0.001834   0.000447
    19  H   -0.233352  -0.003792   0.011480   0.000903   0.025231  -0.004531
    20  H    0.045416  -0.274997  -0.004403  -0.037427   0.031846   0.004973
              13         14         15         16         17         18
     1  C    0.006350   0.000736   0.209774  -0.051302  -0.403864  -0.013281
     2  C   -0.010214  -0.015257   0.061985   0.155930   0.020301  -0.434133
     3  C   -0.105016   0.019268  -1.364226   0.012364   0.139813   0.079993
     4  C   -0.017187  -0.013947   0.206008  -0.369380  -0.031662   0.198279
     5  C   -0.001846  -0.000490  -0.749666  -0.079706  -0.397880  -0.071970
     6  C    0.000456  -0.000053  -0.044040  -0.503025   0.156550  -0.516062
     7  C    0.063559   0.095247  -0.361141  -0.001917  -0.001792  -0.001409
     8  N    0.005298   0.019879  -0.348065   0.003692  -0.000371   0.000653
     9  C    0.320184   0.264439   0.000728   0.000159  -0.000107  -0.000364
    10  H    0.002509  -0.001138  -0.037589  -0.000111   0.000032  -0.000052
    11  H    0.009196  -0.022481   0.025881  -0.000337   0.000149  -0.001834
    12  H   -0.096091  -0.070879   0.000802  -0.000264   0.000032   0.000447
    13  H    0.893723  -0.000409  -0.003145   0.000145  -0.000031  -0.000847
    14  H   -0.000409   0.701031  -0.003829   0.000029  -0.000004   0.000068
    15  H   -0.003145  -0.003829   3.225554  -0.632984   0.068057  -0.024201
    16  H    0.000145   0.000029  -0.632984   2.606901  -0.588423   0.068714
    17  H   -0.000031  -0.000004   0.068057  -0.588423   2.227014  -0.565709
    18  H   -0.000847   0.000068  -0.024201   0.068714  -0.565709   2.576277
    19  H    0.011689  -0.006476   0.059907  -0.022601   0.063803  -0.576270
    20  H   -0.002092  -0.017974   0.060461  -0.000379   0.000013  -0.000030
              19         20
     1  C   -0.567503  -0.000187
     2  C    0.461242   0.011420
     3  C   -1.021426   0.046921
     4  C   -0.032819   0.068607
     5  C    0.210426  -0.003549
     6  C   -0.023038  -0.000450
     7  C   -0.233352   0.045416
     8  N   -0.003792  -0.274997
     9  C    0.011480  -0.004403
    10  H    0.000903  -0.037427
    11  H    0.025231   0.031846
    12  H   -0.004531   0.004973
    13  H    0.011689  -0.002092
    14  H   -0.006476  -0.017974
    15  H    0.059907   0.060461
    16  H   -0.022601  -0.000379
    17  H    0.063803   0.000013
    18  H   -0.576270  -0.000030
    19  H    2.484653   0.001553
    20  H    0.001553   1.095005
 Mulliken charges:
               1
     1  C   -0.419279
     2  C   -0.433160
     3  C   -0.524838
     4  C   -0.592472
     5  C   -0.446171
     6  C   -0.247031
     7  C    0.149842
     8  N    0.087498
     9  C    0.605601
    10  H    0.131997
    11  H   -0.047656
    12  H   -0.024567
    13  H   -0.076229
    14  H    0.052240
    15  H    0.649731
    16  H    0.402495
    17  H    0.314078
    18  H    0.281729
    19  H    0.160920
    20  H   -0.024726
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.137549
     2  C   -0.272240
     3  C   -0.524838
     4  C    0.057258
     5  C   -0.043677
     6  C    0.067047
     7  C    0.102186
     8  N    0.194768
     9  C    0.557044
 Electronic spatial extent (au):  <R**2>=           1296.7160
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1129    Y=             -0.8059    Z=              0.6951  Tot=              1.5399
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -46.8100   YY=            -53.0936   ZZ=            -58.2648
   XY=              0.4665   XZ=             -0.2237   YZ=              3.6538
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.9128   YY=             -0.3708   ZZ=             -5.5420
   XY=              0.4665   XZ=             -0.2237   YZ=              3.6538
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.2890  YYY=             -1.6914  ZZZ=              0.1885  XYY=              4.5562
  XXY=              3.5265  XXZ=              0.8597  XZZ=             -8.7012  YZZ=              0.0006
  YYZ=              3.8762  XYZ=             -2.6694
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1081.6164 YYYY=           -424.5223 ZZZZ=           -122.5124 XXXY=            -26.7867
 XXXZ=             22.2104 YYYX=             -0.3617 YYYZ=             16.9906 ZZZX=              0.4248
 ZZZY=              2.4014 XXYY=           -264.6639 XXZZ=           -233.4706 YYZZ=           -100.4140
 XXYZ=             11.9465 YYXZ=             -6.6152 ZZXY=             -1.1145
 N-N= 4.253718298430D+02 E-N=-1.696800721030D+03  KE= 3.612398588237D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:01:40 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.48079380D-01-2.69225474D-01 2.51130787D-01
 Polarizability= 1.26729849D+02 9.03546457D-01 1.04139862D+02
                 2.81517985D+00 4.83740742D+00 6.70563751D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.2840   -1.2799        0.4264    0.4169
 2      1.2840    1.2799       -2.1491   -2.1509      -11.6162  -11.5895
 3     -0.4264   -0.4169       30.0085   29.9907        2.1505    2.1509
 4      2.1491    2.1509        0.0000    0.0000       -0.4294   -0.4169
 5    -18.3922  -18.4012        0.4294    0.4169       -1.2761   -1.2799
 6     -2.1505   -2.1509        1.2761    1.2799       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.8398    3.8398        1.2508    1.2508
 2      6.4526    6.4526       -0.0000    0.0000        1.2508    1.2508
 3      6.4526    6.4526        3.8398    3.8398        0.0000    0.0000
 4      3.8398    3.8398       -6.4526   -6.4526      -34.7686  -34.7686
 5     -1.2508   -1.2508       89.9722   89.9722        6.4526    6.4526
 6    -55.2036  -55.2036        1.2508    1.2508       -3.8398   -3.8398
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1215    0.0000        5.3769    5.1197       -1.4845   -1.6678
 2     -5.2763   -5.1197        8.2667    8.6035       45.6803   46.3581
 3      1.4413    1.6678     -119.8607 -119.9630       -8.5572   -8.6035
 4     -8.1392   -8.6035        0.1678    0.0000        1.7017    1.6678
 5     73.5747   73.6049       -1.1399   -1.6678        4.9758    5.1197
 6      8.5493    8.6035       -5.1612   -5.1197        0.1177    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0325    0.0000        3.1147    2.7089      -10.6420  -10.5369
 2     -2.5938   -2.7089      -38.1589  -38.5220      -24.0580  -23.8907
 3     10.8412   10.5369      -20.1484  -20.0675       38.0742   38.5220
 4     38.4642   38.5220        0.2078    0.0000       10.5606   10.5369
 5     42.9808   43.9582      -11.9517  -10.5369        2.5095    2.7089
 6    -38.5546  -38.5220       -3.2898   -2.7089        0.1452    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     12.4356   12.5408        5.7638    6.0872       12.9201   12.7901
 2     73.2804   73.1987        0.4352    0.0027       12.6397   12.7901
 3     73.3729   73.1987        6.2113    6.0872       18.3414   18.3790
 4      6.2470    6.0845      -60.5632  -60.6579      -29.8527  -29.9729
 5      6.1409    5.5889      -39.6052  -39.4270       60.4533   60.6579
 6     68.0773   69.3999       -8.0388   -5.5889       -5.6071   -6.0845
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.9637   -3.5027   -0.0008   -0.0008   -0.0007    5.4256
 Low frequencies ---   38.3573  140.8983  226.9340
 Diagonal vibrational polarizability:
       16.3409826       6.7537814      20.4588085
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.3382               140.8978               226.9339
 Red. masses --      3.1692                 3.0957                 2.1737
 Frc consts  --      0.0027                 0.0362                 0.0660
 IR Inten    --      0.1854                 3.1281                 2.8062
 RamAct Fr= 1--      2.3031                 3.7144                 0.1460
  Dep-P Fr= 1--      0.7498                 0.7301                 0.6780
  Dep-U Fr= 1--      0.8570                 0.8440                 0.8081
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0002
 Beta2  Fr= 1--      0.3290                 0.5225                 0.0197
 AlphaG Fr= 1--      0.0001                -0.0001                -0.0012
 Gamma2 Fr= 1--     -1.2605                -0.6411                 0.0936
 Delta2 Fr= 1--     -0.9049                -0.3210                 0.1162
 Raman1 Fr= 1--       9.213                 14.857                  0.584
 ROA1   Fr= 1--    -149.971                -71.813                 12.707
 CID1   Fr= 1--     -16.279                 -4.833                 21.757
 Raman2 Fr= 1--       3.948                  6.270                  0.236
 ROA2   Fr= 1--     -23.014                -12.818                  1.318
 CID2   Fr= 1--      -5.829                 -2.044                  5.586
 Raman3 Fr= 1--       7.896                 12.539                  0.472
 ROA3   Fr= 1--    -149.971                -71.813                 12.707
 CID3   Fr= 1--     -18.994                 -5.727                 26.924
 RC180  Fr= 1--       0.714                  0.688                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.14    -0.05  -0.03   0.07     0.06   0.04  -0.01
     2   6    -0.01  -0.02   0.15    -0.02   0.02  -0.14     0.06  -0.07  -0.03
     3   6     0.00   0.01   0.01    -0.01   0.04  -0.19    -0.01  -0.11  -0.04
     4   6     0.02   0.03  -0.13    -0.00   0.03  -0.17    -0.08  -0.08  -0.02
     5   6     0.03   0.03  -0.15    -0.03  -0.02   0.03    -0.10   0.03   0.02
     6   6     0.01   0.01  -0.01    -0.05  -0.05   0.19    -0.02   0.08   0.01
     7   6    -0.00   0.04  -0.01    -0.02   0.02  -0.04    -0.01  -0.04  -0.01
     8   7     0.02   0.04   0.21    -0.04  -0.00   0.08     0.16   0.05   0.02
     9   6    -0.04  -0.12  -0.20     0.19   0.00   0.07    -0.10   0.05   0.02
    10   1     0.06  -0.10   0.26     0.17   0.01   0.07     0.47   0.13  -0.01
    11   1     0.01   0.22  -0.09    -0.16   0.01  -0.01    -0.09  -0.02  -0.00
    12   1    -0.04  -0.32  -0.13     0.43  -0.02   0.04     0.16  -0.08   0.02
    13   1    -0.09  -0.13  -0.38     0.15  -0.01  -0.05    -0.38  -0.06  -0.14
    14   1    -0.04  -0.05  -0.23     0.15   0.03   0.32    -0.15   0.35   0.18
    15   1     0.03   0.04  -0.23     0.01   0.04  -0.23    -0.12  -0.11  -0.05
    16   1     0.04   0.05  -0.26    -0.02  -0.03   0.09    -0.17   0.06   0.03
    17   1     0.01   0.01  -0.02    -0.08  -0.09   0.40    -0.02   0.15   0.03
    18   1    -0.03  -0.04   0.25    -0.06  -0.04   0.16     0.13   0.09  -0.01
    19   1    -0.02  -0.04   0.26    -0.02   0.03  -0.19     0.13  -0.11  -0.02
    20   1     0.00   0.09   0.23    -0.10  -0.03   0.30     0.07   0.13   0.32
                      4                      5                      6
                      A                      A                      A
 Frequencies --    251.5487               259.7077               333.6777
 Red. masses --      1.0306                 1.4496                 3.0139
 Frc consts  --      0.0384                 0.0576                 0.1977
 IR Inten    --     32.0808                14.8692                 1.6611
 RamAct Fr= 1--      0.1404                 0.3534                 1.5344
  Dep-P Fr= 1--      0.6817                 0.7431                 0.0740
  Dep-U Fr= 1--      0.8107                 0.8526                 0.1379
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0286
 Beta2  Fr= 1--      0.0190                 0.0502                 0.0353
 AlphaG Fr= 1--      0.0013                -0.0010                 0.0109
 Gamma2 Fr= 1--      0.0078                 0.0033                 0.0328
 Delta2 Fr= 1--     -0.0240                -0.1501                 0.0028
 Raman1 Fr= 1--       0.562                  1.413                  6.138
 ROA1   Fr= 1--      -0.017                 -4.489                  3.239
 CID1   Fr= 1--      -0.031                 -3.176                  0.528
 Raman2 Fr= 1--       0.228                  0.603                  0.423
 ROA2   Fr= 1--       0.379                  1.279                  0.765
 CID2   Fr= 1--       1.664                  2.122                  1.807
 Raman3 Fr= 1--       0.455                  1.205                  0.846
 ROA3   Fr= 1--      -0.017                 -4.489                  3.239
 CID3   Fr= 1--      -0.038                 -3.725                  3.828
 RC180  Fr= 1--       0.621                  0.705                 -0.724
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.04  -0.01   0.00    -0.08  -0.02   0.04
     2   6    -0.01   0.01  -0.01    -0.04   0.03   0.06    -0.07  -0.06   0.10
     3   6    -0.00   0.01   0.00    -0.01   0.05   0.04    -0.03  -0.03  -0.01
     4   6     0.01   0.01  -0.00     0.02   0.03   0.07    -0.10  -0.03   0.09
     5   6     0.01  -0.00   0.00     0.03  -0.01   0.01    -0.11   0.00   0.02
     6   6     0.00  -0.01   0.01     0.00  -0.02  -0.05    -0.10   0.03  -0.11
     7   6     0.00  -0.01  -0.00     0.01   0.00  -0.01     0.03   0.04  -0.08
     8   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.09     0.14   0.09  -0.01
     9   6    -0.02  -0.01  -0.01     0.05  -0.04  -0.02     0.23  -0.02  -0.03
    10   1     0.49   0.20  -0.10     0.31   0.20  -0.18     0.11   0.01   0.02
    11   1     0.02  -0.02  -0.00     0.06  -0.04  -0.01    -0.02   0.08  -0.08
    12   1    -0.35   0.17  -0.02     0.42  -0.29   0.01     0.17   0.12  -0.07
    13   1     0.21   0.07   0.23    -0.22  -0.13  -0.35     0.53   0.11   0.06
    14   1     0.03  -0.27  -0.26    -0.01   0.25   0.26     0.25  -0.35   0.01
    15   1     0.04   0.03  -0.01     0.06   0.06   0.09    -0.14  -0.07   0.13
    16   1     0.01  -0.00  -0.00     0.06  -0.02  -0.00    -0.12   0.00   0.03
    17   1    -0.00  -0.01   0.01     0.01  -0.03  -0.13    -0.09   0.07  -0.25
    18   1    -0.01  -0.00  -0.01    -0.07  -0.02  -0.01    -0.04  -0.01   0.06
    19   1    -0.01   0.02  -0.02    -0.07   0.04   0.08    -0.08  -0.08   0.16
    20   1    -0.15  -0.11   0.53    -0.15  -0.16   0.32     0.16   0.23  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.3804               415.3491               465.0528
 Red. masses --      3.3102                 2.9778                 2.8227
 Frc consts  --      0.3064                 0.3027                 0.3597
 IR Inten    --      7.6347                 0.0411                 1.6174
 RamAct Fr= 1--      1.2890                 0.0359                 3.2411
  Dep-P Fr= 1--      0.6708                 0.4571                 0.1148
  Dep-U Fr= 1--      0.8030                 0.6275                 0.2059
 Alpha2 Fr= 1--      0.0018                 0.0002                 0.0547
 Beta2  Fr= 1--      0.1725                 0.0038                 0.1112
 AlphaG Fr= 1--     -0.0022                -0.0031                 0.0258
 Gamma2 Fr= 1--      0.5420                -0.2870                 0.1359
 Delta2 Fr= 1--      0.0710                -0.0440                -0.0723
 Raman1 Fr= 1--       5.156                  0.143                 12.965
 ROA1   Fr= 1--      54.301                -28.956                 10.737
 CID1   Fr= 1--      10.532               -201.824                  0.828
 Raman2 Fr= 1--       2.070                  0.045                  1.335
 ROA2   Fr= 1--      12.439                 -6.535                  3.841
 CID2   Fr= 1--       6.009               -145.193                  2.878
 Raman3 Fr= 1--       4.140                  0.090                  2.669
 ROA3   Fr= 1--      54.301                -28.956                 10.737
 CID3   Fr= 1--      13.116               -321.656                  4.022
 RC180  Fr= 1--       0.606                  0.255                 -0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01  -0.07     0.02   0.04  -0.21     0.09   0.02  -0.00
     2   6    -0.07   0.07  -0.07    -0.02  -0.03   0.21     0.06  -0.04  -0.01
     3   6    -0.01   0.06   0.12    -0.00   0.00  -0.00    -0.05  -0.08   0.03
     4   6    -0.00   0.10  -0.07     0.03   0.04  -0.21     0.01  -0.11  -0.02
     5   6    -0.01   0.04  -0.05    -0.02  -0.04   0.20     0.01  -0.03  -0.03
     6   6    -0.09  -0.03   0.10     0.00  -0.00  -0.00     0.09   0.02   0.04
     7   6     0.04  -0.05   0.15    -0.01   0.00  -0.00    -0.13   0.11   0.10
     8   7     0.22   0.01  -0.08    -0.01  -0.00   0.00    -0.11   0.19  -0.09
     9   6    -0.03  -0.18   0.05     0.01  -0.00  -0.00     0.03  -0.11   0.02
    10   1     0.11   0.16  -0.14    -0.01  -0.00   0.00    -0.06   0.46  -0.20
    11   1     0.11  -0.11   0.15    -0.02   0.01  -0.00    -0.17   0.10   0.11
    12   1    -0.11  -0.36   0.13     0.00   0.01  -0.00     0.01  -0.32   0.10
    13   1     0.01  -0.15  -0.11     0.01   0.00   0.01     0.29   0.03  -0.25
    14   1    -0.01  -0.19  -0.06     0.01  -0.01  -0.00     0.04  -0.38   0.06
    15   1     0.02   0.12  -0.18     0.05   0.07  -0.43     0.02  -0.10  -0.04
    16   1     0.06   0.02  -0.12    -0.04  -0.08   0.46    -0.07   0.01  -0.06
    17   1    -0.10  -0.10   0.22     0.00  -0.01   0.01     0.08   0.05   0.08
    18   1    -0.10   0.02  -0.17     0.04   0.07  -0.43     0.10   0.03  -0.03
    19   1    -0.13   0.13  -0.18    -0.04  -0.08   0.45     0.17  -0.09  -0.04
    20   1     0.28   0.22  -0.31    -0.01   0.00  -0.01    -0.12   0.16  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    519.1726               597.2976               638.9278
 Red. masses --      3.2119                 2.8438                 6.3743
 Frc consts  --      0.5101                 0.5978                 1.5332
 IR Inten    --      6.6799                10.3708                 0.0498
 RamAct Fr= 1--      2.2406                 1.1077                 4.1181
  Dep-P Fr= 1--      0.2346                 0.7067                 0.7497
  Dep-U Fr= 1--      0.3800                 0.8281                 0.8569
 Alpha2 Fr= 1--      0.0277                 0.0008                 0.0000
 Beta2  Fr= 1--      0.1419                 0.1529                 0.5882
 AlphaG Fr= 1--     -0.0159                 0.0013                 0.0004
 Gamma2 Fr= 1--     -0.2166                 0.0071                 0.0371
 Delta2 Fr= 1--     -0.0556                 0.0305                 0.0264
 Raman1 Fr= 1--       8.962                  4.431                 16.473
 ROA1   Fr= 1--     -22.575                  1.661                  4.402
 CID1   Fr= 1--      -2.519                  0.375                  0.267
 Raman2 Fr= 1--       1.703                  1.835                  7.058
 ROA2   Fr= 1--      -4.754                 -0.073                  0.678
 CID2   Fr= 1--      -2.792                 -0.040                  0.096
 Raman3 Fr= 1--       3.406                  3.669                 14.116
 ROA3   Fr= 1--     -22.575                  1.661                  4.402
 CID3   Fr= 1--      -6.628                  0.453                  0.312
 RC180  Fr= 1--      -0.240                  0.656                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.11    -0.01  -0.09   0.06     0.27  -0.23  -0.01
     2   6     0.01  -0.10  -0.00     0.02  -0.11  -0.07     0.22   0.22   0.05
     3   6     0.05  -0.08   0.24     0.14   0.00  -0.10    -0.01   0.14   0.02
     4   6    -0.05  -0.02   0.00    -0.00   0.04  -0.05    -0.25   0.20   0.00
     5   6    -0.06   0.03  -0.11    -0.05   0.05   0.08    -0.24  -0.25  -0.07
     6   6    -0.11  -0.02   0.14    -0.12   0.03  -0.12     0.01  -0.14  -0.03
     7   6     0.12   0.08   0.01     0.15   0.08   0.18     0.00  -0.00   0.01
     8   7    -0.08  -0.00   0.01    -0.05   0.02  -0.02     0.01   0.03  -0.00
     9   6     0.09   0.13  -0.08    -0.01  -0.00   0.00    -0.01   0.00   0.00
    10   1    -0.10  -0.00   0.01    -0.15   0.25  -0.11     0.01   0.02   0.00
    11   1     0.28   0.12  -0.04     0.10   0.03   0.20     0.01  -0.00   0.01
    12   1     0.12   0.12  -0.09    -0.25  -0.27   0.14    -0.01  -0.02   0.01
    13   1     0.05   0.11  -0.08    -0.10  -0.03  -0.16    -0.01   0.00  -0.02
    14   1     0.09   0.18  -0.07     0.03   0.12  -0.30    -0.01   0.01  -0.01
    15   1    -0.12  -0.05  -0.24    -0.13  -0.05   0.09    -0.10   0.29   0.05
    16   1    -0.02   0.07  -0.36    -0.01  -0.02   0.32    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.13   0.03  -0.06    -0.02   0.29   0.05
    18   1     0.12   0.06  -0.35     0.08  -0.06   0.31     0.12  -0.32  -0.02
    19   1     0.01  -0.04  -0.24    -0.07  -0.10   0.11     0.07   0.29   0.07
    20   1    -0.11  -0.31   0.16    -0.04  -0.31   0.01     0.00   0.03   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    713.4131               752.2143               778.0136
 Red. masses --      1.7853                 3.1731                 2.0158
 Frc consts  --      0.5354                 1.0578                 0.7189
 IR Inten    --     40.2636                13.4745                20.9051
 RamAct Fr= 1--      0.0632                12.7970                 3.8756
  Dep-P Fr= 1--      0.1105                 0.0438                 0.2054
  Dep-U Fr= 1--      0.1990                 0.0840                 0.3409
 Alpha2 Fr= 1--      0.0011                 0.2565                 0.0519
 Beta2  Fr= 1--      0.0021                 0.1791                 0.2202
 AlphaG Fr= 1--      0.0043                -0.0895                 0.0106
 Gamma2 Fr= 1--      0.0389                 1.4351                 0.5224
 Delta2 Fr= 1--      0.0150                 0.6075                -0.2520
 Raman1 Fr= 1--       0.253                 51.188                 15.502
 ROA1   Fr= 1--       4.212                157.214                 42.083
 CID1   Fr= 1--      16.658                  3.071                  2.715
 Raman2 Fr= 1--       0.025                  2.149                  2.642
 ROA2   Fr= 1--       0.813                 29.583                 14.552
 CID2   Fr= 1--      32.301                 13.765                  5.508
 Raman3 Fr= 1--       0.050                  4.298                  5.284
 ROA3   Fr= 1--       4.212                157.214                 42.083
 CID3   Fr= 1--      83.699                 36.575                  7.964
 RC180  Fr= 1--      -0.602                 -0.832                 -0.318
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.14    -0.07   0.14   0.03     0.03  -0.06  -0.00
     2   6    -0.01  -0.02   0.07    -0.05   0.13  -0.06     0.03  -0.03  -0.08
     3   6     0.02   0.02  -0.10    -0.12  -0.03   0.10     0.01  -0.03   0.18
     4   6    -0.01  -0.01   0.08    -0.04  -0.13  -0.10     0.03   0.06  -0.06
     5   6     0.02   0.03  -0.14    -0.06  -0.15  -0.02     0.03   0.06   0.02
     6   6    -0.02  -0.01   0.07     0.15   0.03  -0.07    -0.04   0.02  -0.12
     7   6     0.00   0.00   0.00     0.08   0.03   0.10    -0.07  -0.03  -0.07
     8   7     0.00   0.00  -0.00     0.04  -0.07   0.01    -0.01   0.03  -0.01
     9   6     0.00  -0.00   0.00     0.07   0.09  -0.06    -0.03  -0.02  -0.00
    10   1    -0.00   0.02  -0.01    -0.05   0.03  -0.03     0.05  -0.08   0.04
    11   1    -0.04  -0.00   0.01     0.17   0.00   0.09     0.08   0.05  -0.13
    12   1    -0.03  -0.02   0.01    -0.03  -0.02  -0.00     0.17   0.15  -0.09
    13   1    -0.02  -0.01   0.00     0.02   0.08  -0.14     0.07   0.01   0.10
    14   1     0.00   0.01  -0.03     0.09   0.15  -0.20    -0.06  -0.14   0.26
    15   1    -0.04  -0.06   0.49     0.03  -0.10   0.08    -0.02   0.03   0.01
    16   1    -0.01  -0.03   0.19    -0.30  -0.12   0.35     0.06  -0.05   0.45
    17   1    -0.07  -0.10   0.56     0.10  -0.04   0.36    -0.11  -0.10   0.48
    18   1    -0.02  -0.04   0.21    -0.28  -0.03   0.36     0.05  -0.10   0.45
    19   1    -0.05  -0.10   0.51     0.04   0.05   0.10    -0.02  -0.03   0.02
    20   1     0.00  -0.01   0.00     0.06  -0.22  -0.01    -0.04   0.14   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.4258               861.6440               920.2131
 Red. masses --      1.2898                 1.6641                 1.5161
 Frc consts  --      0.5574                 0.7279                 0.7564
 IR Inten    --     16.1762                98.9314                22.1301
 RamAct Fr= 1--      0.7911                 0.2741                 2.9873
  Dep-P Fr= 1--      0.7487                 0.7493                 0.6183
  Dep-U Fr= 1--      0.8563                 0.8567                 0.7641
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0072
 Beta2  Fr= 1--      0.1129                 0.0391                 0.3804
 AlphaG Fr= 1--      0.0003                 0.0002                -0.0235
 Gamma2 Fr= 1--     -0.2891                -0.2014                -2.0930
 Delta2 Fr= 1--     -0.2609                -0.0317                -1.2550
 Raman1 Fr= 1--       3.164                  1.096                 11.949
 ROA1   Fr= 1--     -36.103                -20.346               -241.086
 CID1   Fr= 1--     -11.409                -18.556                -20.176
 Raman2 Fr= 1--       1.355                  0.470                  4.565
 ROA2   Fr= 1--      -4.851                 -4.579                -40.191
 CID2   Fr= 1--      -3.581                 -9.749                 -8.804
 Raman3 Fr= 1--       2.710                  0.939                  9.131
 ROA3   Fr= 1--     -36.103                -20.346               -241.086
 CID3   Fr= 1--     -13.324                -21.659                -26.404
 RC180  Fr= 1--       0.713                  0.713                  0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.07    -0.02   0.03  -0.03    -0.02   0.03   0.01
     2   6     0.01   0.01  -0.08    -0.01   0.03  -0.03    -0.01   0.01  -0.00
     3   6    -0.00  -0.00   0.01     0.01  -0.00   0.00     0.03   0.01   0.00
     4   6    -0.01  -0.00   0.06    -0.01  -0.02   0.02    -0.01  -0.03  -0.00
     5   6    -0.00  -0.01   0.07    -0.01  -0.03   0.03    -0.03  -0.04  -0.02
     6   6    -0.00  -0.00   0.01     0.02  -0.00   0.01     0.02   0.01   0.00
     7   6    -0.02   0.01   0.01     0.07  -0.02  -0.05     0.10   0.02  -0.05
     8   7    -0.01  -0.05   0.02     0.02   0.16  -0.06    -0.06   0.04   0.03
     9   6     0.01   0.02  -0.02    -0.03  -0.07   0.06     0.00  -0.14   0.03
    10   1     0.09   0.19  -0.08    -0.25  -0.51   0.23     0.04   0.41  -0.13
    11   1    -0.02   0.02   0.01     0.09  -0.04  -0.04     0.20   0.25  -0.16
    12   1     0.01   0.03  -0.02    -0.03  -0.06   0.06     0.02   0.27  -0.12
    13   1     0.01   0.02  -0.02    -0.07  -0.09   0.11    -0.29  -0.30   0.50
    14   1     0.02   0.03  -0.03    -0.03  -0.07   0.07    -0.03   0.20   0.08
    15   1     0.04   0.06  -0.44    -0.00  -0.00  -0.17    -0.00  -0.03  -0.02
    16   1     0.07   0.08  -0.46    -0.01   0.03  -0.23    -0.09  -0.02   0.04
    17   1     0.00   0.01  -0.04     0.02  -0.01  -0.03     0.01   0.03   0.01
    18   1    -0.04  -0.09   0.44    -0.08  -0.03   0.20    -0.04   0.03  -0.06
    19   1    -0.04  -0.09   0.48    -0.03  -0.02   0.22    -0.03   0.03  -0.00
    20   1     0.03   0.16  -0.14    -0.08  -0.45   0.35     0.00   0.18  -0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    923.5110               962.3217               977.5367
 Red. masses --      1.3848                 1.3371                 1.2443
 Frc consts  --      0.6959                 0.7296                 0.7005
 IR Inten    --      1.9609                 0.6079                 0.3103
 RamAct Fr= 1--      0.8434                 0.2207                 0.3317
  Dep-P Fr= 1--      0.2503                 0.2462                 0.1307
  Dep-U Fr= 1--      0.4004                 0.3951                 0.2312
 Alpha2 Fr= 1--      0.0100                 0.0026                 0.0054
 Beta2  Fr= 1--      0.0563                 0.0145                 0.0128
 AlphaG Fr= 1--     -0.0156                 0.0062                 0.0052
 Gamma2 Fr= 1--     -0.8348                 0.4444                 0.2142
 Delta2 Fr= 1--      0.2792                -0.1146                -0.0593
 Raman1 Fr= 1--       3.374                  0.883                  1.327
 ROA1   Fr= 1--     -71.202                 38.996                 18.663
 CID1   Fr= 1--     -21.105                 44.180                 14.068
 Raman2 Fr= 1--       0.675                  0.174                  0.153
 ROA2   Fr= 1--     -22.268                 11.582                  5.615
 CID2   Fr= 1--     -32.965                 66.418                 36.610
 Raman3 Fr= 1--       1.351                  0.349                  0.307
 ROA3   Fr= 1--     -71.202                 38.996                 18.663
 CID3   Fr= 1--     -52.704                111.807                 60.845
 RC180  Fr= 1--      -0.199                 -0.210                 -0.538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.01   0.02  -0.10     0.00   0.01  -0.04
     2   6    -0.01  -0.02   0.10    -0.01  -0.02   0.09    -0.00  -0.00   0.01
     3   6     0.01   0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.01   0.09     0.01   0.01  -0.07    -0.01  -0.01   0.07
     5   6     0.00  -0.00   0.01    -0.01  -0.01   0.05     0.01   0.02  -0.09
     6   6     0.02   0.02  -0.10    -0.01  -0.00   0.03     0.00  -0.01   0.07
     7   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.00  -0.01
     8   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.02    -0.01  -0.01  -0.00     0.00   0.00   0.01
    10   1    -0.00  -0.00   0.00     0.01   0.04  -0.01     0.00  -0.02   0.01
    11   1    -0.09  -0.05   0.03     0.02   0.02  -0.01    -0.02  -0.03   0.01
    12   1    -0.09  -0.08   0.06     0.01   0.02  -0.01    -0.03  -0.03   0.03
    13   1    -0.04  -0.02  -0.02     0.00  -0.00   0.02    -0.01  -0.00  -0.02
    14   1     0.02   0.06  -0.10    -0.01   0.00   0.02     0.01   0.01  -0.04
    15   1     0.02   0.05  -0.50    -0.01  -0.04   0.39     0.01   0.04  -0.47
    16   1     0.01   0.02  -0.11     0.02   0.05  -0.27    -0.06  -0.10   0.61
    17   1    -0.06  -0.11   0.61     0.02   0.05  -0.20     0.06   0.07  -0.45
    18   1    -0.02  -0.01   0.04    -0.06  -0.11   0.62    -0.05  -0.07   0.33
    19   1     0.04   0.10  -0.50     0.04   0.10  -0.53     0.01   0.03  -0.16
    20   1     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.00   0.01  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1018.1085              1025.8200              1055.3457
 Red. masses --      1.5503                 6.1378                 2.3340
 Frc consts  --      0.9468                 3.8055                 1.5316
 IR Inten    --      3.3905                 0.0287                 7.2901
 RamAct Fr= 1--      3.1322                45.9303                21.6009
  Dep-P Fr= 1--      0.4403                 0.0517                 0.0549
  Dep-U Fr= 1--      0.6114                 0.0984                 0.1040
 Alpha2 Fr= 1--      0.0200                 0.9036                 0.4218
 Beta2  Fr= 1--      0.3192                 0.7529                 0.3745
 AlphaG Fr= 1--      0.0037                -0.0403                -0.0297
 Gamma2 Fr= 1--      0.7603                -0.1409                -0.7950
 Delta2 Fr= 1--      0.8034                -0.0403                -0.5048
 Raman1 Fr= 1--      12.529                183.721                 86.404
 ROA1   Fr= 1--      98.698                -14.820                -92.474
 CID1   Fr= 1--       7.878                 -0.081                 -1.070
 Raman2 Fr= 1--       3.830                  9.035                  4.494
 ROA2   Fr= 1--      11.820                 -3.059                -15.041
 CID2   Fr= 1--       3.086                 -0.339                 -3.347
 Raman3 Fr= 1--       7.660                 18.070                  8.987
 ROA3   Fr= 1--      98.698                -14.820                -92.474
 CID3   Fr= 1--      12.885                 -0.820                -10.289
 RC180  Fr= 1--       0.223                 -0.803                 -0.792
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.03   0.05   0.00    -0.05   0.20   0.03
     2   6    -0.01  -0.01   0.01    -0.16  -0.36  -0.08     0.05  -0.06  -0.01
     3   6     0.03   0.01  -0.05    -0.00   0.01   0.01     0.05   0.00   0.01
     4   6    -0.00  -0.00   0.02    -0.21   0.34   0.02     0.05   0.06   0.02
     5   6    -0.02  -0.02  -0.01    -0.01  -0.05  -0.00    -0.03  -0.20  -0.04
     6   6     0.01   0.00  -0.00     0.37   0.02   0.04    -0.14  -0.01  -0.02
     7   6     0.02   0.12   0.02     0.01  -0.00   0.01     0.01   0.00  -0.04
     8   7     0.06  -0.09   0.01     0.00  -0.00  -0.00    -0.02  -0.01   0.00
     9   6    -0.13  -0.01  -0.01     0.02  -0.00  -0.00    -0.02   0.01   0.03
    10   1    -0.08   0.10  -0.07     0.01   0.00  -0.00     0.07  -0.07   0.02
    11   1     0.15   0.35  -0.10    -0.00  -0.00   0.01     0.03  -0.09  -0.00
    12   1     0.27   0.09  -0.11    -0.01   0.01  -0.00    -0.04  -0.11   0.07
    13   1     0.26   0.15  -0.01    -0.02  -0.02   0.03     0.04   0.04  -0.10
    14   1    -0.17  -0.39   0.49     0.02   0.03  -0.04    -0.00  -0.05  -0.01
    15   1     0.02   0.02  -0.11    -0.15   0.39   0.13     0.31   0.22   0.04
    16   1    -0.03  -0.02   0.01     0.03  -0.04  -0.05     0.29  -0.37  -0.01
    17   1     0.00   0.03   0.03     0.38   0.02   0.06    -0.15  -0.01  -0.02
    18   1     0.00   0.02  -0.02     0.01   0.05   0.01     0.26   0.40   0.11
    19   1    -0.01   0.00  -0.04    -0.09  -0.41  -0.08     0.35  -0.20  -0.00
    20   1     0.09  -0.39  -0.02     0.00   0.03   0.00    -0.02   0.17  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1072.7762              1107.0832              1123.3241
 Red. masses --      2.2777                 1.6577                 1.8784
 Frc consts  --      1.5444                 1.1971                 1.3965
 IR Inten    --     20.4139                 3.1311                 3.1838
 RamAct Fr= 1--      7.8853                 1.6087                 7.9362
  Dep-P Fr= 1--      0.4094                 0.3182                 0.0948
  Dep-U Fr= 1--      0.5809                 0.4827                 0.1732
 Alpha2 Fr= 1--      0.0565                 0.0156                 0.1407
 Beta2  Fr= 1--      0.7635                 0.1294                 0.2290
 AlphaG Fr= 1--     -0.0568                 0.0239                 0.0209
 Gamma2 Fr= 1--     -0.1605                -0.9313                 0.5735
 Delta2 Fr= 1--      0.7379                -0.4112                -0.2292
 Raman1 Fr= 1--      31.541                  6.435                 31.745
 ROA1   Fr= 1--       8.202               -102.562                 47.723
 CID1   Fr= 1--       0.260                -15.939                  1.503
 Raman2 Fr= 1--       9.161                  1.553                  2.748
 ROA2   Fr= 1--      -9.756                -19.061                 15.598
 CID2   Fr= 1--      -1.065                -12.272                  5.675
 Raman3 Fr= 1--      18.323                  3.106                  5.497
 ROA3   Fr= 1--       8.202               -102.562                 47.723
 CID3   Fr= 1--       0.448                -33.017                  8.682
 RC180  Fr= 1--       0.162                 -0.035                 -0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.08  -0.05  -0.00     0.01   0.01   0.00
     2   6    -0.04  -0.02  -0.02    -0.08  -0.05  -0.02     0.06   0.01  -0.00
     3   6     0.02   0.04   0.05    -0.10   0.04   0.00    -0.12  -0.04   0.03
     4   6     0.03  -0.05  -0.02     0.09  -0.02   0.02    -0.06   0.03  -0.02
     5   6    -0.04  -0.01  -0.01    -0.01  -0.04  -0.01     0.06   0.05   0.02
     6   6     0.03   0.05   0.01    -0.04   0.07   0.01    -0.03  -0.05  -0.01
     7   6     0.04   0.18  -0.17    -0.06   0.02   0.04    -0.03   0.14  -0.07
     8   7    -0.02  -0.09   0.00     0.05  -0.01  -0.02     0.06  -0.06  -0.00
     9   6    -0.03  -0.01   0.15     0.05  -0.03  -0.03     0.05  -0.05   0.06
    10   1     0.24  -0.26   0.05    -0.11  -0.06   0.01    -0.09   0.06  -0.05
    11   1     0.15  -0.06  -0.09    -0.16   0.10   0.03    -0.33   0.29  -0.07
    12   1    -0.25  -0.42   0.34    -0.02   0.15  -0.08    -0.20  -0.04   0.10
    13   1    -0.01   0.02  -0.21    -0.13  -0.12   0.16    -0.18  -0.15   0.09
    14   1     0.02  -0.11  -0.13     0.04   0.18  -0.08     0.06   0.19  -0.19
    15   1     0.05  -0.05   0.08     0.48   0.23   0.01    -0.13  -0.01   0.05
    16   1    -0.23   0.09  -0.02    -0.08  -0.02   0.02     0.29  -0.06   0.02
    17   1     0.02   0.26   0.04    -0.06   0.46   0.07    -0.01  -0.31  -0.07
    18   1     0.03  -0.05  -0.01     0.34   0.10   0.06     0.02   0.01   0.02
    19   1    -0.23   0.05   0.06    -0.24   0.02  -0.02     0.37  -0.15   0.02
    20   1    -0.01   0.30  -0.06     0.04  -0.25   0.05     0.09  -0.38  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.6482              1205.2729              1209.3653
 Red. masses --      1.1198                 1.4847                 1.1355
 Frc consts  --      0.9259                 1.2708                 0.9785
 IR Inten    --      0.2356                 5.1110                 1.0457
 RamAct Fr= 1--      3.9320                 1.6115                 6.9810
  Dep-P Fr= 1--      0.7500                 0.4824                 0.5710
  Dep-U Fr= 1--      0.8571                 0.6508                 0.7269
 Alpha2 Fr= 1--      0.0000                 0.0086                 0.0236
 Beta2  Fr= 1--      0.5617                 0.1748                 0.8457
 AlphaG Fr= 1--      0.0000                -0.0027                 0.0214
 Gamma2 Fr= 1--      0.2025                -1.5444                -0.1300
 Delta2 Fr= 1--      0.1697                -0.2275                 0.1471
 Raman1 Fr= 1--      15.728                  6.446                 27.924
 ROA1   Fr= 1--      24.868               -155.538                 -7.768
 CID1   Fr= 1--       1.581                -24.129                 -0.278
 Raman2 Fr= 1--       6.741                  2.098                 10.149
 ROA2   Fr= 1--       3.501                -35.245                 -4.296
 CID2   Fr= 1--       0.519                -16.803                 -0.423
 Raman3 Fr= 1--      13.481                  4.195                 20.298
 ROA3   Fr= 1--      24.868               -155.538                 -7.768
 CID3   Fr= 1--       1.845                -37.076                 -0.383
 RC180  Fr= 1--       0.714                  0.302                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.01     0.02  -0.02  -0.00    -0.04  -0.03  -0.01
     2   6     0.01  -0.01   0.00     0.02  -0.02   0.01     0.05  -0.03   0.00
     3   6    -0.01   0.00  -0.01    -0.09   0.06  -0.05    -0.03   0.00  -0.00
     4   6    -0.01  -0.01  -0.00    -0.04  -0.03  -0.00     0.04   0.03   0.01
     5   6     0.05  -0.02   0.00     0.03   0.02   0.01    -0.04   0.03  -0.00
     6   6    -0.01   0.06   0.01    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
     7   6    -0.00   0.01   0.01    -0.02   0.08   0.10     0.01  -0.00  -0.00
     8   7    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.01  -0.03  -0.03    -0.01  -0.00   0.00
    10   1     0.02  -0.03   0.01     0.18  -0.43   0.12    -0.00   0.00   0.00
    11   1     0.06  -0.01   0.01     0.61  -0.09   0.05     0.05  -0.03   0.00
    12   1     0.01   0.02  -0.01     0.04   0.12  -0.08     0.01   0.01  -0.00
    13   1    -0.00  -0.01   0.01    -0.02  -0.05   0.14     0.02   0.01  -0.01
    14   1    -0.00   0.01   0.01    -0.01   0.11   0.07    -0.01   0.01   0.01
    15   1    -0.15  -0.10  -0.02    -0.08  -0.05  -0.05     0.44   0.28   0.05
    16   1     0.45  -0.23   0.01     0.03   0.02  -0.00    -0.41   0.22  -0.00
    17   1    -0.04   0.63   0.11     0.00  -0.20  -0.03    -0.01  -0.02  -0.00
    18   1    -0.40  -0.25  -0.09     0.18   0.08   0.03    -0.39  -0.25  -0.09
    19   1     0.20  -0.10  -0.00     0.20  -0.12  -0.02     0.47  -0.24  -0.00
    20   1    -0.01   0.03   0.01    -0.08   0.35   0.08     0.00   0.00  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1238.3137              1330.5392              1337.8429
 Red. masses --      2.5220                 1.3551                 4.4957
 Frc consts  --      2.2785                 1.4135                 4.7408
 IR Inten    --      8.3355                 7.9831                 1.3839
 RamAct Fr= 1--     15.2278                 9.6442                 1.8098
  Dep-P Fr= 1--      0.0534                 0.4016                 0.1224
  Dep-U Fr= 1--      0.1015                 0.5731                 0.2180
 Alpha2 Fr= 1--      0.2983                 0.0710                 0.0300
 Beta2  Fr= 1--      0.2575                 0.9211                 0.0658
 AlphaG Fr= 1--     -0.1098                -0.0523                 0.0237
 Gamma2 Fr= 1--      0.5063                -1.2586                 0.3978
 Delta2 Fr= 1--      0.5134                -0.9650                 0.0141
 Raman1 Fr= 1--      60.911                 38.577                  7.239
 ROA1   Fr= 1--      65.033               -151.707                 38.640
 CID1   Fr= 1--       1.068                 -3.933                  5.337
 Raman2 Fr= 1--       3.090                 11.054                  0.789
 ROA2   Fr= 1--       8.043                -22.486                  9.435
 CID2   Fr= 1--       2.603                 -2.034                 11.954
 Raman3 Fr= 1--       6.180                 22.108                  1.578
 ROA3   Fr= 1--      65.033               -151.707                 38.640
 CID3   Fr= 1--      10.522                 -6.862                 24.479
 RC180  Fr= 1--      -0.797                  0.146                 -0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.00     0.01   0.02   0.00    -0.19  -0.11  -0.04
     2   6     0.04  -0.00   0.00    -0.01   0.00   0.00     0.17  -0.10  -0.00
     3   6     0.23   0.00   0.04     0.03  -0.02  -0.03     0.04   0.32   0.06
     4   6     0.05   0.02   0.01     0.02   0.01   0.01    -0.12  -0.11  -0.03
     5   6    -0.07  -0.05  -0.02    -0.02   0.00  -0.00     0.17  -0.13  -0.00
     6   6     0.01  -0.01  -0.00     0.00  -0.02  -0.00    -0.01   0.18   0.03
     7   6    -0.17   0.12   0.07    -0.11  -0.09   0.02    -0.07  -0.09  -0.04
     8   7     0.03  -0.06  -0.07     0.01   0.00  -0.01     0.04   0.02   0.03
     9   6     0.05  -0.05  -0.06     0.05   0.04   0.05     0.01   0.02   0.02
    10   1     0.06  -0.40   0.08    -0.07   0.01  -0.01    -0.16   0.25  -0.06
    11   1    -0.45   0.12   0.13     0.51   0.66  -0.39    -0.11   0.07  -0.10
    12   1    -0.07   0.18  -0.11    -0.15  -0.11   0.13    -0.03  -0.01   0.03
    13   1    -0.15  -0.15   0.22    -0.10  -0.01  -0.14    -0.06   0.00  -0.10
    14   1     0.02   0.20   0.02     0.08   0.01  -0.15     0.02  -0.05  -0.06
    15   1    -0.20  -0.14  -0.02    -0.01  -0.01  -0.02    -0.21  -0.17  -0.03
    16   1    -0.26   0.05  -0.02    -0.01  -0.00  -0.00    -0.46   0.18  -0.03
    17   1     0.01  -0.01  -0.00    -0.00   0.03   0.00     0.00  -0.13  -0.02
    18   1    -0.30  -0.09  -0.04    -0.06  -0.02  -0.01     0.30   0.19   0.07
    19   1    -0.08   0.07  -0.00    -0.01   0.01  -0.02     0.11  -0.07   0.00
    20   1    -0.05   0.09   0.14    -0.01  -0.03   0.05     0.06  -0.25   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1361.5267              1406.4366              1413.6672
 Red. masses --      1.4414                 1.2308                 1.3310
 Frc consts  --      1.5743                 1.4345                 1.5672
 IR Inten    --      0.4732                 6.9771                13.0961
 RamAct Fr= 1--      0.6750                 1.1901                 5.0705
  Dep-P Fr= 1--      0.6063                 0.6955                 0.7191
  Dep-U Fr= 1--      0.7549                 0.8204                 0.8366
 Alpha2 Fr= 1--      0.0018                 0.0011                 0.0027
 Beta2  Fr= 1--      0.0849                 0.1627                 0.7070
 AlphaG Fr= 1--     -0.0059                 0.0020                 0.0077
 Gamma2 Fr= 1--      0.0153                 0.0533                -0.3747
 Delta2 Fr= 1--     -0.0771                -0.2808                 1.3239
 Raman1 Fr= 1--       2.700                  4.761                 20.282
 ROA1   Fr= 1--      -1.002                 -3.870                  6.396
 CID1   Fr= 1--      -0.371                 -0.813                  0.315
 Raman2 Fr= 1--       1.019                  1.953                  8.484
 ROA2   Fr= 1--       0.983                  3.526                -19.583
 CID2   Fr= 1--       0.965                  1.805                 -2.308
 Raman3 Fr= 1--       2.038                  3.906                 16.968
 ROA3   Fr= 1--      -1.002                 -3.870                  6.396
 CID3   Fr= 1--      -0.492                 -0.991                  0.377
 RC180  Fr= 1--       0.510                  0.641                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.01  -0.02  -0.00
     2   6    -0.10   0.03  -0.01    -0.01   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.01   0.06   0.01     0.00   0.00  -0.00    -0.03   0.01   0.01
     4   6     0.10   0.04   0.02     0.01   0.00   0.00    -0.01  -0.00  -0.00
     5   6    -0.02  -0.00  -0.00    -0.01   0.00   0.00     0.03  -0.00   0.00
     6   6     0.01  -0.10  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.02  -0.02    -0.04   0.01  -0.02     0.11  -0.05   0.05
     8   7     0.01   0.00   0.01     0.01   0.01   0.02    -0.03  -0.02  -0.05
     9   6    -0.01  -0.01   0.01     0.06   0.07  -0.09    -0.01   0.05  -0.04
    10   1    -0.04   0.09  -0.02    -0.04   0.12  -0.02     0.13  -0.24   0.04
    11   1    -0.04  -0.07   0.01     0.18  -0.26   0.05    -0.47   0.56  -0.07
    12   1     0.02   0.06  -0.02    -0.32  -0.38   0.16     0.03  -0.32   0.10
    13   1     0.04   0.02  -0.05    -0.35  -0.16   0.37    -0.02   0.01   0.27
    14   1    -0.00   0.04  -0.04    -0.00  -0.31   0.43    -0.01  -0.15   0.13
    15   1    -0.48  -0.32  -0.07    -0.02  -0.01  -0.01     0.00   0.01   0.00
    16   1    -0.28   0.12  -0.01    -0.01   0.00  -0.00    -0.05   0.04   0.00
    17   1    -0.02   0.31   0.05    -0.00   0.01   0.00    -0.00   0.07   0.01
    18   1     0.25   0.13   0.05    -0.01  -0.00  -0.00     0.10   0.05   0.02
    19   1     0.49  -0.27  -0.00     0.04  -0.02  -0.01     0.10  -0.04   0.00
    20   1     0.01  -0.05   0.01     0.04  -0.13  -0.03    -0.08   0.30   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1483.9408              1491.0866              1498.3194
 Red. masses --      1.7018                 1.2132                 1.0754
 Frc consts  --      2.2080                 1.5892                 1.4224
 IR Inten    --      8.6459                 1.6731                 5.4576
 RamAct Fr= 1--      1.5430                 5.2891                 4.2591
  Dep-P Fr= 1--      0.7467                 0.7486                 0.6185
  Dep-U Fr= 1--      0.8550                 0.8563                 0.7643
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0103
 Beta2  Fr= 1--      0.2199                 0.7548                 0.5425
 AlphaG Fr= 1--      0.0014                 0.0030                 0.0242
 Gamma2 Fr= 1--      4.1942                -1.5306                -0.0452
 Delta2 Fr= 1--     -1.5265                 0.1036                 0.8207
 Raman1 Fr= 1--       6.172                 21.156                 17.036
 ROA1   Fr= 1--     353.793               -143.618                 21.923
 CID1   Fr= 1--      57.323                 -6.788                  1.287
 Raman2 Fr= 1--       2.638                  9.058                  6.510
 ROA2   Fr= 1--     112.872                -37.563                 -7.651
 CID2   Fr= 1--      42.780                 -4.147                 -1.175
 Raman3 Fr= 1--       5.277                 18.115                 13.020
 ROA3   Fr= 1--     353.793               -143.618                 21.923
 CID3   Fr= 1--      67.046                 -7.928                  1.684
 RC180  Fr= 1--       0.710                  0.713                  0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.01    -0.05   0.01  -0.00    -0.01   0.01  -0.00
     2   6     0.05   0.05   0.02     0.04   0.02   0.01     0.02  -0.00   0.00
     3   6     0.02  -0.12  -0.02     0.00  -0.06  -0.01     0.00  -0.02  -0.00
     4   6    -0.08   0.03  -0.00    -0.03   0.02   0.00    -0.00   0.01   0.00
     5   6     0.11   0.01   0.01     0.05   0.00   0.01     0.02  -0.00   0.00
     6   6     0.01  -0.09  -0.01    -0.00  -0.05  -0.01    -0.00  -0.01  -0.00
     7   6     0.01   0.02   0.00    -0.02   0.04   0.01    -0.04   0.00  -0.02
     8   7    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.01
     9   6     0.03  -0.03  -0.00    -0.02   0.04   0.02    -0.03  -0.01  -0.03
    10   1     0.05  -0.04   0.01    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    11   1     0.06   0.00  -0.00     0.09  -0.09   0.04     0.12  -0.05  -0.03
    12   1    -0.42   0.18   0.00     0.55  -0.06  -0.05     0.16  -0.45   0.11
    13   1     0.10   0.03  -0.25    -0.31  -0.12   0.19     0.47   0.17   0.46
    14   1    -0.05   0.19   0.33     0.10  -0.39  -0.49    -0.04   0.47  -0.10
    15   1     0.11   0.16   0.03     0.01   0.06   0.01    -0.02   0.01  -0.00
    16   1    -0.22   0.19   0.01    -0.14   0.11   0.00    -0.06   0.04  -0.00
    17   1    -0.02   0.47   0.08    -0.02   0.23   0.04    -0.01   0.07   0.01
    18   1     0.26   0.23   0.07     0.07   0.09   0.03    -0.00   0.02   0.00
    19   1    -0.05   0.12   0.02    -0.05   0.07  -0.00    -0.06   0.03   0.01
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.01     0.02  -0.08   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1535.5593              1627.7437              1650.0400
 Red. masses --      2.1856                 5.4534                 4.4728
 Frc consts  --      3.0364                 8.5132                 7.1750
 IR Inten    --     12.7143                 1.2919                 3.0045
 RamAct Fr= 1--      0.3024                 7.2836                28.4958
  Dep-P Fr= 1--      0.7314                 0.7272                 0.6550
  Dep-U Fr= 1--      0.8449                 0.8420                 0.7915
 Alpha2 Fr= 1--      0.0001                 0.0029                 0.0485
 Beta2  Fr= 1--      0.0426                 1.0222                 3.7592
 AlphaG Fr= 1--      0.0011                 0.0112                 0.0254
 Gamma2 Fr= 1--     -0.5494                -0.3507                -1.6344
 Delta2 Fr= 1--      0.2141                 0.0637                -0.9719
 Raman1 Fr= 1--       1.210                 29.134                113.983
 ROA1   Fr= 1--     -45.890                -31.630               -188.003
 CID1   Fr= 1--     -37.940                 -1.086                 -1.649
 Raman2 Fr= 1--       0.511                 12.266                 45.110
 ROA2   Fr= 1--     -14.898                 -8.927                -31.451
 CID2   Fr= 1--     -29.159                 -0.728                 -0.697
 Raman3 Fr= 1--       1.022                 24.532                 90.220
 ROA3   Fr= 1--     -45.890                -31.630               -188.003
 CID3   Fr= 1--     -44.907                 -1.289                 -2.084
 RC180  Fr= 1--       0.690                  0.684                  0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.11  -0.03    -0.06  -0.20  -0.04    -0.24  -0.06  -0.04
     2   6    -0.08   0.09   0.01    -0.10   0.17   0.02     0.27  -0.07   0.02
     3   6     0.14   0.01   0.02     0.00  -0.29  -0.05    -0.19  -0.00  -0.02
     4   6    -0.06  -0.10  -0.02     0.10   0.20   0.04     0.24   0.08   0.04
     5   6    -0.12   0.09   0.00     0.08  -0.21  -0.03    -0.24   0.06  -0.02
     6   6     0.10   0.01   0.01    -0.02   0.36   0.06     0.12  -0.01   0.01
     7   6    -0.04   0.00  -0.01    -0.01   0.04   0.01     0.02  -0.01   0.01
     8   7     0.00   0.00   0.00    -0.01   0.00  -0.00    -0.03   0.02   0.01
     9   6    -0.01   0.00   0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    10   1    -0.03   0.01  -0.00     0.09  -0.03   0.01     0.33  -0.11   0.04
    11   1    -0.01  -0.02   0.00     0.12  -0.02   0.01     0.02   0.04  -0.01
    12   1     0.09  -0.05   0.00     0.02  -0.01   0.00    -0.02   0.00   0.00
    13   1     0.01  -0.00   0.08    -0.02  -0.02   0.03    -0.01  -0.00  -0.01
    14   1     0.01   0.01  -0.09     0.01   0.00  -0.03     0.00  -0.02   0.02
    15   1     0.39   0.17   0.05    -0.33  -0.06  -0.03    -0.25  -0.24  -0.05
    16   1     0.44  -0.18   0.02    -0.25  -0.06  -0.04     0.22  -0.18  -0.00
    17   1     0.13  -0.02   0.01     0.02  -0.49  -0.09     0.13   0.03   0.02
    18   1     0.42   0.20   0.08     0.23  -0.04   0.02     0.19   0.21   0.06
    19   1     0.44  -0.16   0.01     0.29  -0.02   0.02    -0.30   0.22   0.01
    20   1     0.00  -0.02   0.01     0.01  -0.02  -0.05     0.08  -0.19  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1658.2903              3013.5170              3025.4565
 Red. masses --      1.1455                 1.0828                 1.0358
 Frc consts  --      1.8559                 5.7936                 5.5859
 IR Inten    --     42.3108                13.9617                28.9157
 RamAct Fr= 1--      7.2281               157.8540               148.5352
  Dep-P Fr= 1--      0.4978                 0.1664                 0.0318
  Dep-U Fr= 1--      0.6647                 0.2854                 0.0616
 Alpha2 Fr= 1--      0.0361                 2.3399                 3.0634
 Beta2  Fr= 1--      0.8007                 7.5082                 1.5261
 AlphaG Fr= 1--     -0.0184                 2.4003                -0.9509
 Gamma2 Fr= 1--      1.2502                11.9933                 0.4894
 Delta2 Fr= 1--      1.6029                 7.2449                 0.9024
 Raman1 Fr= 1--      28.912                631.416                594.141
 ROA1   Fr= 1--     171.313               1383.188                 75.856
 CID1   Fr= 1--       5.925                  2.191                  0.128
 Raman2 Fr= 1--       9.609                 90.099                 18.313
 ROA2   Fr= 1--      17.182                229.879                  4.525
 CID2   Fr= 1--       1.788                  2.551                  0.247
 Raman3 Fr= 1--      19.218                180.197                 36.626
 ROA3   Fr= 1--     171.313               1383.188                 75.856
 CID3   Fr= 1--       8.914                  7.676                  2.071
 RC180  Fr= 1--       0.329                 -0.429                 -0.877
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.03   0.02   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.03  -0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.02  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.02  -0.01   0.02    -0.01  -0.03  -0.07     0.00   0.00   0.01
     8   7    -0.05   0.05   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.03  -0.02   0.04
    10   1     0.66  -0.21   0.08    -0.00  -0.00  -0.02     0.00  -0.00   0.00
    11   1    -0.01   0.04  -0.01     0.17   0.35   0.89    -0.02  -0.05  -0.12
    12   1     0.03   0.01  -0.01    -0.03  -0.07  -0.18    -0.11  -0.22  -0.57
    13   1    -0.01  -0.00   0.01    -0.00   0.01   0.00    -0.20   0.42   0.04
    14   1     0.01   0.00  -0.03     0.01   0.00   0.00     0.60   0.04   0.10
    15   1     0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.02   0.02  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.03  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.04  -0.03  -0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
    20   1     0.17  -0.43  -0.53    -0.00  -0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8138              3100.6079              3161.3301
 Red. masses --      1.1026                 1.1003                 1.0852
 Frc consts  --      6.1982                 6.2323                 6.3902
 IR Inten    --     39.7956                28.3155                 5.8156
 RamAct Fr= 1--     98.0789                45.2474                32.6107
  Dep-P Fr= 1--      0.5655                 0.7182                 0.6756
  Dep-U Fr= 1--      0.7224                 0.8360                 0.8064
 Alpha2 Fr= 1--      0.3425                 0.0248                 0.0429
 Beta2  Fr= 1--     11.8094                 6.3043                 4.3827
 AlphaG Fr= 1--     -0.0430                 0.0180                -0.0606
 Gamma2 Fr= 1--     -8.5228                -3.9890                -2.1016
 Delta2 Fr= 1--     -7.1915                -1.1992                -0.4096
 Raman1 Fr= 1--     392.316                180.989                130.443
 ROA1   Fr= 1--   -1048.320               -421.317               -214.862
 CID1   Fr= 1--      -2.672                 -2.328                 -1.647
 Raman2 Fr= 1--     141.713                 75.652                 52.593
 ROA2   Fr= 1--    -147.017                -86.143                -47.162
 CID2   Fr= 1--      -1.037                 -1.139                 -0.897
 Raman3 Fr= 1--     283.427                151.304                105.185
 ROA3   Fr= 1--   -1048.320               -421.317               -214.862
 CID3   Fr= 1--      -3.699                 -2.785                 -2.043
 RC180  Fr= 1--       0.445                  0.672                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.04   0.00
     2   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.01
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.00   0.00
     7   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.07  -0.02  -0.06     0.05  -0.07  -0.03     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1     0.02   0.05   0.12     0.01   0.02   0.06     0.00   0.00   0.01
    12   1     0.09   0.23   0.62     0.07   0.11   0.33     0.00   0.00   0.01
    13   1    -0.00  -0.04  -0.02    -0.36   0.80   0.06    -0.02   0.05   0.00
    14   1     0.72   0.05   0.10    -0.28  -0.04  -0.05    -0.01  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.04  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.11   0.22   0.05
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.33  -0.01  -0.04
    18   1     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.30  -0.46  -0.05
    19   1    -0.00  -0.00  -0.00    -0.03  -0.06  -0.01     0.31   0.63   0.15
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3169.2611              3179.3424              3192.0255
 Red. masses --      1.0872                 1.0919                 1.0961
 Frc consts  --      6.4339                 6.5028                 6.5802
 IR Inten    --      1.3949                27.3939                19.9980
 RamAct Fr= 1--    125.1899                67.6176               236.3055
  Dep-P Fr= 1--      0.5939                 0.6927                 0.1052
  Dep-U Fr= 1--      0.7452                 0.8185                 0.1903
 Alpha2 Fr= 1--      0.3633                 0.0678                 4.0854
 Beta2  Fr= 1--     15.5485                 9.2238                 7.4947
 AlphaG Fr= 1--     -0.0821                -0.1040                -0.3356
 Gamma2 Fr= 1--      3.3793                 0.1558                -1.6010
 Delta2 Fr= 1--      1.7778                 2.5750                -2.6860
 Raman1 Fr= 1--     500.759                270.470                945.222
 ROA1   Fr= 1--     381.301                 97.355               -239.645
 CID1   Fr= 1--       0.761                  0.360                 -0.254
 Raman2 Fr= 1--     186.582                110.686                 89.936
 ROA2   Fr= 1--      66.880                -16.862                -16.935
 CID2   Fr= 1--       0.358                 -0.152                 -0.188
 Raman3 Fr= 1--     373.165                221.371                179.873
 ROA3   Fr= 1--     381.301                 97.355               -239.645
 CID3   Fr= 1--       1.022                  0.440                 -1.332
 RC180  Fr= 1--       0.490                  0.637                 -0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.03  -0.04  -0.00    -0.03   0.04   0.01
     2   6     0.02   0.04   0.01    -0.02  -0.03  -0.01     0.01   0.02   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.01   0.01   0.00    -0.00   0.01   0.00    -0.01   0.01   0.00
     5   6    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01    -0.01  -0.03  -0.01
     6   6     0.04   0.00   0.01    -0.03   0.00  -0.00    -0.06  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.03  -0.00    -0.01   0.02   0.00     0.00  -0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.08  -0.13  -0.01     0.07  -0.12  -0.01     0.11  -0.17  -0.01
    16   1     0.31   0.62   0.14     0.23   0.45   0.10     0.13   0.27   0.06
    17   1    -0.49  -0.02  -0.06     0.34   0.01   0.04     0.71   0.03   0.08
    18   1     0.00  -0.00   0.00    -0.34   0.52   0.06     0.29  -0.46  -0.05
    19   1    -0.21  -0.42  -0.10     0.20   0.39   0.09    -0.10  -0.19  -0.04
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3207.9651              3472.4785              3554.5498
 Red. masses --      1.0917                 1.0507                 1.0906
 Frc consts  --      6.6195                 7.4647                 8.1188
 IR Inten    --      5.2912                 0.3909                 0.6503
 RamAct Fr= 1--    128.8438               116.3691                80.9326
  Dep-P Fr= 1--      0.1315                 0.0915                 0.5264
  Dep-U Fr= 1--      0.2324                 0.1676                 0.6897
 Alpha2 Fr= 1--      2.0870                 2.0803                 0.3512
 Beta2  Fr= 1--      4.9901                 3.2511                 9.3038
 AlphaG Fr= 1--     -0.0416                 1.6593                -0.2951
 Gamma2 Fr= 1--      0.8066                 4.6800                 4.9028
 Delta2 Fr= 1--      0.3611                 3.3513                -1.7764
 Raman1 Fr= 1--     515.375                465.476                323.730
 ROA1   Fr= 1--      88.987                556.518                413.823
 CID1   Fr= 1--       0.173                  1.196                  1.278
 Raman2 Fr= 1--      59.881                 39.013                111.646
 ROA2   Fr= 1--      16.470                 85.508                131.878
 CID2   Fr= 1--       0.275                  2.192                  1.181
 Raman3 Fr= 1--     119.763                 78.027                223.292
 ROA3   Fr= 1--      88.987                556.518                413.823
 CID3   Fr= 1--       0.743                  7.132                  1.853
 RC180  Fr= 1--      -0.535                 -0.665                  0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.04  -0.07  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01  -0.02  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.03  -0.02  -0.04    -0.06  -0.02  -0.05
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.01     0.04   0.32   0.78    -0.00   0.19   0.49
    11   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.01   0.01
    12   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.51   0.80   0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.12   0.23   0.05     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.10   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.03  -0.05  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00   0.00   0.00    -0.50  -0.03  -0.18     0.81   0.06   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   528.039191542.246921943.31143
           X            0.99994   0.01012  -0.00505
           Y           -0.01008   0.99991   0.00830
           Z            0.00513  -0.00825   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16403     0.05616     0.04457
 Rotational constants (GHZ):           3.41782     1.17020     0.92869
 Zero-point vibrational energy     455950.5 (Joules/Mol)
                                  108.97479 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.16   202.72   326.51   361.92   373.66
          (Kelvin)            480.09   570.30   597.59   669.11   746.97
                              859.38   919.27  1026.44  1082.27  1119.39
                             1232.21  1239.71  1323.98  1328.73  1384.57
                             1406.46  1464.83  1475.93  1518.41  1543.49
                             1592.85  1616.21  1704.44  1734.12  1740.01
                             1781.66  1914.35  1924.86  1958.93  2023.55
                             2033.95  2135.06  2145.34  2155.75  2209.33
                             2341.96  2374.04  2385.91  4335.78  4352.96
                             4444.11  4461.08  4548.45  4559.86  4574.36
                             4592.61  4615.55  4996.12  5114.20
 
 Zero-point correction=                           0.173662 (Hartree/Particle)
 Thermal correction to Energy=                    0.182142
 Thermal correction to Enthalpy=                  0.183086
 Thermal correction to Gibbs Free Energy=         0.140222
 Sum of electronic and zero-point Energies=           -366.225232
 Sum of electronic and thermal Energies=              -366.216752
 Sum of electronic and thermal Enthalpies=            -366.215808
 Sum of electronic and thermal Free Energies=         -366.258672
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.296             32.999             90.214
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.850
 Vibrational            112.518             27.038             21.076
 Vibration     1          0.594              1.982              5.343
 Vibration     2          0.615              1.912              2.792
 Vibration     3          0.651              1.800              1.903
 Vibration     4          0.664              1.760              1.720
 Vibration     5          0.668              1.746              1.664
 Vibration     6          0.715              1.608              1.242
 Vibration     7          0.763              1.478              0.976
 Vibration     8          0.779              1.437              0.908
 Vibration     9          0.823              1.328              0.752
 Vibration    10          0.874              1.208              0.612
 Vibration    11          0.955              1.038              0.454
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.317921D-64        -64.497680       -148.511397
 Total V=0       0.240658D+16         15.381401         35.416985
 Vib (Bot)       0.134797D-77        -77.870319       -179.303036
 Vib (Bot)    1  0.539747D+01          0.732190          1.685930
 Vib (Bot)    2  0.144279D+01          0.159203          0.366580
 Vib (Bot)    3  0.869067D+00         -0.060947         -0.140335
 Vib (Bot)    4  0.775309D+00         -0.110525         -0.254494
 Vib (Bot)    5  0.747992D+00         -0.126103         -0.290363
 Vib (Bot)    6  0.558688D+00         -0.252830         -0.582164
 Vib (Bot)    7  0.450847D+00         -0.345971         -0.796627
 Vib (Bot)    8  0.424249D+00         -0.372380         -0.857436
 Vib (Bot)    9  0.364206D+00         -0.438652         -1.010035
 Vib (Bot)   10  0.311141D+00         -0.507042         -1.167508
 Vib (Bot)   11  0.250686D+00         -0.600869         -1.383553
 Vib (V=0)       0.102038D+03          2.008762          4.625346
 Vib (V=0)    1  0.592058D+01          0.772364          1.778434
 Vib (V=0)    2  0.202697D+01          0.306848          0.706544
 Vib (V=0)    3  0.150264D+01          0.176854          0.407221
 Vib (V=0)    4  0.142255D+01          0.153068          0.352453
 Vib (V=0)    5  0.139972D+01          0.146041          0.336271
 Vib (V=0)    6  0.124976D+01          0.096825          0.222948
 Vib (V=0)    7  0.117325D+01          0.069390          0.159776
 Vib (V=0)    8  0.115573D+01          0.062858          0.144735
 Vib (V=0)    9  0.111858D+01          0.048669          0.112064
 Vib (V=0)   10  0.108890D+01          0.036990          0.085172
 Vib (V=0)   11  0.105932D+01          0.025029          0.057631
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.450326D+06          5.653527         13.017727
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333 33                                              111 1111 11111 1111111111                                    
     5  4       2111110 00                                              666 5444 44333 2221110000999988  777  65  5 443  3222  1     
     5  7       0976608 21                                              552 3998 10633 3008207521762265  751  39  1 619  3652  4   3 
     5  2       8299119 54                                              808 6814 46281 8955373568824026  823  97  9 556  4027  1   8 
 
     X  X       XXXXXXX XX                                              XXX XXXX XXXXX XXXXXXXX XXXXXXX  XXX   X  X X X  XXXX  X   X 
                 XX  XX XX                                              X   X  X X   X X     X      XXX  XXX   X      X   XX         
                 XX  XX XX                                              X   X    X           X      XXX  XXX              XX         
                 XX  XX X                                               X                    X      XX   X X               X         
                  X  XX X                                               X                            X     X               X         
                  X  XX X                                               X                            X     X               X         
                      X                                                 X                            X     X                         
                      X                                                 X                            X     X                         
                                                                        X                            X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000019142   -0.000008689   -0.000002759
      2        6           0.000019496   -0.000009202    0.000000084
      3        6          -0.000005228    0.000026183    0.000008564
      4        6          -0.000009708   -0.000006748    0.000002181
      5        6           0.000017954   -0.000014374   -0.000002234
      6        6          -0.000003754    0.000020646    0.000002007
      7        6           0.000013547   -0.000023370   -0.000003121
      8        7          -0.000004167    0.000013031   -0.000006605
      9        6          -0.000000210    0.000004249   -0.000004161
     10        1          -0.000001731   -0.000001449    0.000008296
     11        1          -0.000002998    0.000001177   -0.000001633
     12        1           0.000001379   -0.000000241    0.000001918
     13        1           0.000002069    0.000002363   -0.000000501
     14        1           0.000000902    0.000000221    0.000000946
     15        1           0.000001241   -0.000003242   -0.000003045
     16        1          -0.000001187   -0.000000087   -0.000000091
     17        1          -0.000000722   -0.000000555    0.000000446
     18        1           0.000001207    0.000001662   -0.000002758
     19        1          -0.000002758    0.000000707   -0.000000261
     20        1          -0.000006191   -0.000002281    0.000002726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000026183 RMS     0.000008194
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132589D+03  0.833897D+00  0.255986D+01
      2   0.833897D+00  0.109410D+03  0.430175D+01
      3   0.255986D+01  0.430175D+01  0.726073D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.894207D+00 -0.544261D+00  0.300739D+01
      2   0.110812D+02  0.110511D+02 -0.890842D+01
      3  -0.298459D+00 -0.296135D+02 -0.109280D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.661859D+02  0.342957D+01  0.737798D+01
      2  -0.268226D+02 -0.686182D+01 -0.110010D+02
      3  -0.393633D+02  0.343225D+01  0.362305D+01
      4  -0.138210D+02  0.502614D+02  0.262161D+02
      5   0.184037D+02  0.277918D+02 -0.229372D+02
      6   0.965401D+01  0.561351D+01 -0.773385D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.236859D+01 -0.171559D+00 -0.456511D+00 -0.500273D+01 -0.633234D+00
      2  -0.171559D+00  0.204805D+01  0.644211D+00 -0.633234D+00 -0.630909D+00
      3  -0.456511D+00  0.644211D+00  0.144087D+01 -0.853795D+00  0.906237D+00
                 6             7             8             9            10 
      1  -0.853795D+00 -0.157123D+01 -0.308417D+00  0.268813D+01  0.346317D+01
      2   0.906237D+00 -0.308417D+00  0.160044D+01 -0.306068D+01  0.181619D+01
      3  -0.182336D+01  0.268813D+01 -0.306068D+01 -0.876546D+00  0.545075D+00
                11            12            13            14            15 
      1   0.181619D+01  0.545075D+00 -0.652400D+01 -0.669107D+00  0.230685D+00
      2  -0.250513D+01  0.163681D+00 -0.669107D+00 -0.143083D+01  0.919151D+00
      3   0.163681D+00 -0.103509D+01  0.230685D+00  0.919151D+00 -0.157704D+01
                16            17            18            19            20 
      1  -0.391249D-01  0.834907D+00 -0.796788D+00 -0.162004D+02 -0.238926D+01
      2   0.834907D+00  0.509586D+00 -0.313019D+01 -0.238926D+01 -0.262707D+01
      3  -0.796788D+00 -0.313019D+01 -0.222199D+01 -0.663983D+00 -0.246380D+00
                21            22            23            24            25 
      1  -0.663983D+00 -0.287781D+01  0.142849D+01  0.914319D+00 -0.779660D+00
      2  -0.246380D+00  0.142849D+01  0.852175D-01 -0.164062D-02  0.918548D+00
      3  -0.172414D+01  0.914319D+00 -0.164062D-02 -0.217115D+00 -0.348576D+01
                26            27            28            29            30 
      1   0.918548D+00 -0.348576D+01  0.414165D+01 -0.837371D+00  0.329495D+00
      2   0.172192D+00 -0.557667D+00 -0.837371D+00 -0.280031D+01 -0.712744D+00
      3  -0.557667D+00 -0.138309D+01  0.329495D+00 -0.712744D+00 -0.170968D+01
                31            32            33            34            35 
      1   0.762353D+01  0.104964D+00  0.808453D-01  0.259965D+01 -0.330581D+00
      2   0.104964D+00  0.169466D+01 -0.525967D+00 -0.330581D+00 -0.104902D+01
      3   0.808453D-01 -0.525967D+00  0.185056D+01 -0.154122D+01  0.338567D+01
                36            37            38            39            40 
      1  -0.154122D+01 -0.316021D+01 -0.132169D+00 -0.508595D+00  0.468817D+01
      2   0.338567D+01 -0.132169D+00  0.220922D+01 -0.302277D+00 -0.277952D+00
      3   0.894983D+00 -0.508595D+00 -0.302277D+00  0.892034D+00 -0.224845D+00
                41            42            43            44            45 
      1  -0.277952D+00 -0.224845D+00  0.188410D+00 -0.828423D+00  0.212229D+01
      2   0.880584D+00 -0.765704D+00 -0.828423D+00 -0.776882D+00  0.337667D+01
      3  -0.765704D+00  0.174705D+01  0.212229D+01  0.337667D+01  0.207470D+01
                46            47            48            49            50 
      1   0.514293D+01  0.233762D+00 -0.572753D+00  0.799056D+00 -0.370926D+00
      2   0.233762D+00  0.305912D+01  0.113038D+00 -0.370926D+00 -0.871281D-01
      3  -0.572753D+00  0.113038D+00  0.242958D+01 -0.103226D+01 -0.280006D+00
                51            52            53            54            55 
      1  -0.103226D+01 -0.434960D+00 -0.101922D+01  0.500196D+01  0.274256D+01
      2  -0.280006D+00 -0.101922D+01  0.100778D+00  0.102930D+00  0.182822D+01
      3  -0.956102D-01  0.500196D+01  0.102930D+00  0.123193D+01  0.736253D-01
                56            57            58            59            60 
      1   0.182822D+01  0.736253D-01  0.562874D+01  0.426195D+01 -0.932933D+00
      2   0.271732D+01 -0.110785D+01  0.426195D+01  0.655330D+00 -0.267959D+00
      3  -0.110785D+01  0.156359D+01 -0.932933D+00 -0.267959D+00  0.380054D+01
                61            62            63            64            65 
      1  -0.384955D-01 -0.157212D+01  0.370617D+01  0.740482D+01  0.420372D+00
      2  -0.157212D+01 -0.163959D+01  0.386447D+01  0.420372D+00 -0.116531D+01
      3   0.370617D+01  0.386447D+01  0.510319D+01  0.114290D+01  0.990085D+00
                66            67            68            69            70 
      1   0.114290D+01  0.745691D+00 -0.220904D+01  0.132528D+01  0.108967D+01
      2   0.990085D+00 -0.220904D+01  0.309132D+01 -0.142407D+01  0.136246D+01
      3   0.193492D-02  0.132528D+01 -0.142407D+01 -0.182640D+01  0.415167D-01
                71            72            73            74            75 
      1   0.136246D+01  0.415167D-01  0.871810D+01  0.106745D+01  0.154188D+01
      2  -0.134051D+01 -0.133626D+01  0.106745D+01 -0.329804D+01  0.103028D+01
      3  -0.133626D+01 -0.462293D+01  0.154188D+01  0.103028D+01 -0.161450D+01
                76            77            78            79            80 
      1  -0.215410D+01 -0.386220D+01  0.152322D+01  0.456851D+01  0.212935D+01
      2  -0.386220D+01  0.265595D+01  0.877867D+00  0.212935D+01  0.200260D+01
      3   0.152322D+01  0.877867D+00 -0.312061D+01 -0.202611D+01 -0.312666D+01
                81            82            83            84            85 
      1  -0.202611D+01 -0.137073D+00  0.486470D+00  0.512774D+00  0.101130D+01
      2  -0.312666D+01  0.486470D+00  0.178099D-01 -0.328311D+00 -0.620361D+00
      3  -0.431367D+01  0.512774D+00 -0.328311D+00  0.209500D+00 -0.643397D+00
                86            87            88            89            90 
      1  -0.620361D+00 -0.643397D+00  0.183637D+01 -0.105582D+01 -0.946390D+00
      2   0.201576D+01  0.104226D+01 -0.105582D+01  0.223385D+01  0.250634D+01
      3   0.104226D+01  0.222787D+01 -0.946390D+00  0.250634D+01  0.460828D+01
                91            92            93            94            95 
      1  -0.167791D+01 -0.738589D+00 -0.175408D+01 -0.242449D+01 -0.153932D+01
      2  -0.738589D+00 -0.727291D+00 -0.243964D+00 -0.153932D+01 -0.129595D+01
      3  -0.175408D+01 -0.243964D+00 -0.142090D+01 -0.555891D+00 -0.153998D+01
                96            97            98            99           100 
      1  -0.555891D+00 -0.389440D+01 -0.468337D+00 -0.279949D+01 -0.452467D+00
      2  -0.153998D+01 -0.468337D+00 -0.140705D+01 -0.194332D+01  0.104001D+00
      3  -0.217961D+01 -0.279949D+01 -0.194332D+01 -0.747704D+01  0.775087D+00
               101           102           103           104           105 
      1   0.104001D+00  0.775087D+00  0.907732D+00  0.296943D+00 -0.414696D+00
      2   0.597335D+00 -0.123763D+00  0.296943D+00  0.415662D+00  0.101179D+01
      3  -0.123763D+00  0.963302D+00 -0.414696D+00  0.101179D+01  0.199495D+01
               106           107           108           109           110 
      1   0.106817D+01  0.352941D-01 -0.534378D+00  0.925676D+00 -0.103080D+01
      2   0.352941D-01  0.121202D+01  0.521977D+00 -0.103080D+01  0.173864D+01
      3  -0.534378D+00  0.521977D+00  0.738645D+01 -0.339330D+00 -0.393700D+00
               111           112           113           114           115 
      1  -0.339330D+00 -0.174372D+01  0.772993D+00  0.482881D-01 -0.760113D+00
      2  -0.393700D+00  0.772993D+00 -0.796031D+01  0.654092D+00 -0.301815D+00
      3   0.674375D+00  0.482881D-01  0.654092D+00 -0.102013D+01  0.383029D+00
               116           117           118           119           120 
      1  -0.301815D+00  0.383029D+00 -0.129627D+02 -0.246720D+01  0.460894D-01
      2  -0.333281D-01 -0.785507D+00 -0.246720D+01 -0.143013D+01  0.142788D+00
      3  -0.785507D+00  0.436490D+00  0.460894D-01  0.142788D+00 -0.118025D+01
               121           122           123           124           125 
      1  -0.853037D+00 -0.129338D+01 -0.197650D+00 -0.188143D+01 -0.432004D+00
      2  -0.129338D+01 -0.105818D+01 -0.110307D+00 -0.432004D+00 -0.614419D+00
      3  -0.197650D+00 -0.110307D+00  0.223945D+00 -0.116932D+01  0.768362D-02
               126           127           128           129           130 
      1  -0.116932D+01 -0.319410D+01  0.212141D+01 -0.898502D-01  0.227079D+01
      2   0.768362D-02  0.212141D+01 -0.224221D+01 -0.141551D+00 -0.262830D+01
      3   0.285624D-01 -0.898502D-01 -0.141551D+00 -0.259393D+00 -0.192845D+00
               131           132           133           134           135 
      1  -0.262830D+01 -0.192845D+00 -0.336962D+00 -0.731958D-01 -0.180490D-01
      2   0.671665D+01  0.515991D+00 -0.731958D-01  0.479890D+00  0.173510D+00
      3   0.515991D+00  0.784577D+00 -0.180490D-01  0.173510D+00  0.404246D-02
               136           137           138           139           140 
      1   0.298363D+01  0.305192D+01  0.728677D+00  0.274860D+01  0.409019D+01
      2   0.305192D+01  0.315154D+01  0.712910D+00  0.409019D+01  0.866908D+01
      3   0.728677D+00  0.712910D+00  0.619451D+00  0.811568D+00  0.160061D+01
               141           142           143           144           145 
      1   0.811568D+00  0.761102D+00  0.991598D+00  0.349598D+00  0.134045D+02
      2   0.160061D+01  0.991598D+00  0.183609D+01  0.534111D+00  0.388631D+00
      3   0.122544D+01  0.349598D+00  0.534111D+00  0.313106D+00  0.125489D+01
               146           147           148           149           150 
      1   0.388631D+00  0.125489D+01  0.274332D+00  0.162855D+01  0.302444D+00
      2   0.793551D+00  0.111517D-02  0.162855D+01  0.139715D+00  0.169958D+00
      3   0.111517D-02  0.114005D+01  0.302444D+00  0.169958D+00  0.778653D-01
               151           152           153           154           155 
      1   0.142909D+01  0.309171D+00  0.266950D+00  0.411002D+01 -0.358900D+01
      2   0.309171D+00  0.103425D+00  0.561270D-02 -0.358900D+01  0.353554D+01
      3   0.266950D+00  0.561270D-02  0.223828D+00 -0.359367D+00  0.278176D+00
               156           157           158           159           160 
      1  -0.359367D+00 -0.343573D+01  0.448459D+01  0.654565D+00 -0.364532D+00
      2   0.278176D+00  0.448459D+01 -0.760806D+01 -0.912082D+00  0.551265D+00
      3   0.575416D+00  0.654565D+00 -0.912082D+00 -0.955531D+00  0.168303D+00
               161           162           163           164           165 
      1   0.551265D+00  0.168303D+00 -0.215384D+01 -0.199673D+01 -0.414294D+00
      2  -0.111369D+01 -0.371099D+00 -0.199673D+01 -0.199498D+01 -0.564281D+00
      3  -0.371099D+00 -0.243230D+00 -0.414294D+00 -0.564281D+00 -0.435085D+00
               166           167           168           169           170 
      1  -0.190659D+01 -0.234784D+01 -0.509033D+00 -0.568561D+00 -0.758427D+00
      2  -0.234784D+01 -0.731802D+01 -0.162052D+01 -0.758427D+00 -0.176563D+01
      3  -0.509033D+00 -0.162052D+01 -0.120990D+01 -0.182819D+00 -0.566240D+00
               171           172           173           174           175 
      1  -0.182819D+00 -0.107297D+02  0.183425D+01 -0.179173D+01  0.224264D+00
      2  -0.566240D+00  0.183425D+01 -0.107767D+01  0.885411D-01 -0.617004D+00
      3  -0.423480D+00 -0.179173D+01  0.885411D-01 -0.113107D+01 -0.333871D+00
               176           177           178           179           180 
      1  -0.617004D+00 -0.333871D+00 -0.287150D+01  0.157750D-01 -0.122762D+01
      2   0.369461D+00 -0.249729D+00  0.157750D-01 -0.510757D+00  0.398638D+00
      3  -0.249729D+00  0.925188D-01 -0.122762D+01  0.398638D+00 -0.743596D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.968213D+00 -0.122439D+00  0.228547D+01 -0.133536D+01  0.349045D+00
      2  -0.613906D+00  0.213726D+01  0.233944D+01 -0.937969D+00  0.289277D+01
      3  -0.118379D+01 -0.126547D+02 -0.198891D+01  0.493968D+01 -0.109826D+01
                 6             7             8             9            10 
      1  -0.204813D+01  0.618455D+01  0.260360D+01  0.179408D+01  0.152411D+00
      2  -0.470922D+01 -0.522999D+01 -0.930978D+01 -0.244241D+01  0.298884D+01
      3  -0.197609D+01 -0.273958D+00 -0.408661D+01  0.394286D+01 -0.536543D+00
                11            12            13            14            15 
      1   0.717043D+00 -0.172483D+01  0.123293D+01 -0.781315D+00 -0.250789D+01
      2   0.161806D+01 -0.783299D+00  0.136183D+01 -0.113228D+01 -0.177509D+01
      3  -0.244412D+01 -0.176685D+01  0.164723D+01  0.670533D+01  0.120874D-01
                16            17            18            19            20 
      1  -0.520090D+01  0.271819D+01 -0.149915D+01  0.547463D+00 -0.357033D+00
      2  -0.130041D+02 -0.113161D+01 -0.319717D+01  0.174524D+00 -0.125859D+01
      3  -0.401963D+01 -0.841540D+00  0.526006D+01 -0.643914D+01  0.683585D+01
                21            22            23            24            25 
      1  -0.672080D+00 -0.281008D+01 -0.129317D+01  0.129070D+01  0.957994D+00
      2  -0.168900D+01 -0.156365D+01  0.329079D+00  0.769897D+00 -0.129645D+02
      3   0.339490D+00  0.144913D+02  0.174484D+00  0.451483D+00 -0.346898D+00
                26            27            28            29            30 
      1   0.911292D+01  0.233522D+01 -0.955839D+00 -0.240813D+00  0.235101D+01
      2   0.371465D+00 -0.688831D-01  0.204992D+01  0.336507D-01 -0.782792D+00
      3   0.292963D+01 -0.493672D+00  0.654774D+01 -0.210133D+01  0.140259D+01
                31            32            33            34            35 
      1  -0.883883D+00 -0.351736D+00 -0.247794D+01  0.472518D+01  0.313081D+01
      2   0.313599D+01  0.101698D+01  0.120441D+01 -0.126404D+02  0.843957D+00
      3   0.671802D+01 -0.511830D+01  0.250443D+00  0.223448D+01 -0.698515D+00
                36            37            38            39            40 
      1  -0.773250D-01  0.822011D+00  0.635621D+00 -0.143943D+01  0.102038D+01
      2  -0.662184D+00  0.164159D+00  0.109711D+01  0.613691D+00  0.628900D+00
      3  -0.531932D+01 -0.368624D+01 -0.969334D+01 -0.181726D+01  0.589473D+01
                41            42            43            44            45 
      1   0.257625D-01 -0.236257D+01 -0.503211D+01  0.165673D+01 -0.695991D+00
      2  -0.264398D+01  0.477720D+01 -0.704256D+01  0.863097D+01  0.353504D+01
      3  -0.194904D+01  0.159477D+01 -0.409722D+00  0.188581D+01 -0.450291D+01
                46            47            48            49            50 
      1   0.856194D-01 -0.855069D+00 -0.489945D+00 -0.131574D+01 -0.242191D+01
      2  -0.133927D+00 -0.512688D-01  0.693684D+01 -0.322319D+01 -0.154153D+00
      3   0.595237D+00 -0.693446D+01  0.770887D-01  0.108140D+02  0.324477D+01
                51            52            53            54            55 
      1   0.159978D+01 -0.106395D+01  0.109312D+02  0.171164D+01 -0.169766D+01
      2  -0.381816D+00  0.720883D+01  0.626920D+00  0.199698D+01  0.125198D+01
      3   0.179050D+01  0.331176D+01  0.929988D+00  0.685630D+00  0.639003D+01
                56            57            58            59            60 
      1  -0.357031D+00  0.208182D+00 -0.205072D+01 -0.980762D+00  0.109636D+01
      2   0.205519D+01 -0.125101D+01  0.350563D+01  0.219858D+01 -0.593510D+01
      3   0.221200D+01 -0.118344D+01  0.132328D+02 -0.393597D+01  0.588118D+00
                61            62            63            64            65 
      1   0.400702D+01  0.670783D+01 -0.603647D+00 -0.283503D+01 -0.139492D+01
      2  -0.134154D+02 -0.787667D+01 -0.795665D+01  0.150486D+00 -0.165788D+01
      3  -0.151316D+01 -0.456926D+01  0.800347D+01  0.160468D+02 -0.855021D+01
                66            67            68            69            70 
      1   0.156431D+00 -0.676524D+00 -0.960048D+00 -0.885554D+00 -0.388912D+01
      2   0.397650D+01 -0.160371D+01  0.213251D+01  0.424849D+01 -0.380021D+01
      3   0.492708D+01  0.269449D+01  0.656068D+01 -0.247627D+01  0.464523D+01
                71            72            73            74            75 
      1   0.796431D+01  0.903701D+01  0.402936D+01 -0.193342D+01 -0.218682D+01
      2   0.543413D+01  0.105000D+02 -0.111007D+02 -0.464287D+01  0.617324D+01
      3  -0.157298D+01 -0.429718D+01 -0.927851D+01 -0.157176D+02  0.726919D+00
                76            77            78            79            80 
      1   0.642175D+00  0.814128D+01 -0.752302D+01 -0.113534D+01 -0.210176D+01
      2  -0.589297D+01 -0.404118D+00  0.683118D+01  0.131427D+01  0.673535D+01
      3  -0.892962D+01  0.166175D+02  0.328351D+00  0.173200D+01  0.203784D+01
                81            82            83            84            85 
      1  -0.777990D+01 -0.590983D+00  0.646326D+00 -0.145661D+00  0.114391D+01
      2   0.122930D+02 -0.194656D+01  0.105372D+01 -0.167229D+00  0.159939D+01
      3  -0.648579D+01  0.222241D+01  0.440751D+00 -0.730375D-01  0.102415D+01
                86            87            88            89            90 
      1  -0.208983D+01 -0.515045D+01  0.221133D+01 -0.315589D+01 -0.102377D+02
      2  -0.259967D+01 -0.588958D+01  0.116425D+00 -0.649660D+01 -0.109270D+02
      3   0.424850D+01  0.204866D+01  0.548272D+00  0.557207D+01  0.626681D+01
                91            92            93            94            95 
      1  -0.684565D+00  0.108379D+01 -0.462481D+00  0.101339D+01  0.813425D+00
      2   0.182189D+01  0.364973D+00  0.262202D+01 -0.317293D+00  0.174166D+01
      3  -0.160726D+01 -0.346625D+01 -0.298976D+00 -0.167720D+01 -0.182263D+01
                96            97            98            99           100 
      1  -0.101573D+01 -0.127649D+01  0.199872D+01 -0.147680D+01  0.119516D+01
      2   0.394963D+01  0.108179D+01  0.319546D+01  0.122512D+02 -0.231135D+01
      3  -0.337773D+01  0.109962D+00 -0.301953D+01 -0.427702D+01  0.989883D+00
               101           102           103           104           105 
      1   0.101496D+01  0.101348D+01  0.194678D+00  0.234026D+01  0.229553D+01
      2  -0.380194D-01 -0.218274D+01 -0.387102D+00 -0.276531D+01 -0.477616D+01
      3   0.116133D+01 -0.964985D+00  0.141458D+01  0.696666D+00  0.266378D+01
               106           107           108           109           110 
      1  -0.360163D+00  0.467151D+01  0.103781D+02 -0.205202D+01  0.153530D+01
      2  -0.268065D+01 -0.191408D+01 -0.181404D+02 -0.258778D+00  0.148256D+01
      3  -0.117494D+01  0.318824D+01  0.213794D+01 -0.750010D+01  0.665515D+01
               111           112           113           114           115 
      1   0.159388D+01  0.154301D+01 -0.584063D+01 -0.323197D+01  0.894665D+00
      2  -0.940453D+00  0.134114D+01 -0.261636D+01  0.178709D+01 -0.171887D+01
      3   0.138313D+00  0.907581D+01 -0.222098D+02  0.125990D+01  0.133567D+01
               116           117           118           119           120 
      1  -0.247000D+00  0.260405D+00 -0.737664D+00 -0.727660D+00 -0.193157D+01
      2   0.157694D+01 -0.103071D+01  0.760966D+01  0.903875D+00  0.621000D+01
      3  -0.333643D+00 -0.276843D+01  0.104222D+02 -0.414384D+01  0.597303D+00
               121           122           123           124           125 
      1  -0.708048D+00 -0.883140D+00 -0.444245D+00 -0.149525D+01  0.619104D+00
      2   0.139696D+01  0.864664D+00 -0.294518D+00  0.233261D+01 -0.161181D+00
      3  -0.494683D+00 -0.214519D+01 -0.340357D+00  0.432649D+00 -0.117717D+01
               126           127           128           129           130 
      1   0.532100D-01  0.982066D+00 -0.382812D+00  0.158027D+01  0.409991D-01
      2   0.417049D+00  0.144462D+01 -0.220777D+00 -0.840222D-01 -0.509626D+00
      3   0.158541D+01 -0.999944D+01  0.455570D+01 -0.406307D+00  0.764986D+01
               131           132           133           134           135 
      1  -0.296174D-01 -0.321038D+01 -0.346667D+00  0.148810D+01  0.486107D-01
      2   0.779236D+00 -0.643944D+00 -0.158802D+01  0.367330D+00  0.287051D-01
      3  -0.667059D+01 -0.665525D+00 -0.552482D+00  0.277062D-01  0.320070D-01
               136           137           138           139           140 
      1  -0.214164D+00 -0.795181D-02 -0.197343D+01 -0.179680D+00  0.394788D+00
      2   0.502598D+00  0.731765D+00  0.211246D+01  0.687375D+00  0.256764D+01
      3  -0.101982D+01 -0.294196D+01 -0.441818D+00 -0.213089D+01 -0.131431D+02
               141           142           143           144           145 
      1  -0.405081D+01  0.539391D+00  0.181862D+01 -0.427863D+00 -0.109760D+00
      2   0.357151D+01 -0.386889D+00  0.114756D-01  0.663776D+00  0.180859D+01
      3  -0.221585D+01 -0.635444D+00 -0.273029D+01 -0.415247D+00  0.213149D+00
               146           147           148           149           150 
      1   0.408143D+00 -0.207433D+00  0.203125D+00 -0.230461D-01 -0.279172D+00
      2  -0.144991D+00  0.653848D+01  0.124136D+01  0.372726D+00  0.369937D+00
      3  -0.522905D+01  0.252234D+00 -0.414913D+01 -0.260648D+00 -0.453742D+00
               151           152           153           154           155 
      1   0.123491D+00  0.602350D+00 -0.242478D-01  0.278273D+00 -0.665830D+00
      2  -0.235915D+01  0.329982D-01  0.646375D+00  0.266084D+00 -0.375351D+00
      3  -0.113836D+01 -0.548331D+00 -0.271189D+00  0.142343D+01 -0.443173D+01
               156           157           158           159           160 
      1   0.206395D+01  0.269409D+00  0.165657D+00 -0.361905D+01 -0.784192D+00
      2   0.235764D+01  0.544248D+00 -0.106725D+01 -0.334733D+01 -0.571271D+00
      3  -0.425505D-01 -0.325349D+01  0.121936D+02  0.110741D+01 -0.802709D+00
               161           162           163           164           165 
      1   0.139095D+01 -0.298551D+00  0.715274D+00  0.394012D+00 -0.165870D+01
      2   0.286710D+00 -0.451466D+00 -0.160429D+01 -0.103437D+01  0.904523D-01
      3   0.213961D+01  0.501762D+00  0.793087D+01  0.473220D+01  0.841912D+00
               166           167           168           169           170 
      1   0.532068D+00  0.973900D+00 -0.363270D+01  0.400458D+00  0.224341D+01
      2  -0.156290D+01 -0.160683D+01  0.306437D+00 -0.193642D+01 -0.682680D+00
      3   0.774809D+01  0.822277D+01  0.182491D+01  0.139370D+01  0.243699D+01
               171           172           173           174           175 
      1  -0.400914D+00  0.203826D+01  0.609782D+00  0.163969D+01  0.839972D+00
      2   0.669259D-01 -0.979888D+00  0.950234D-01  0.421581D+01  0.555591D+00
      3   0.370404D+00 -0.119573D+02 -0.298271D+01 -0.246926D+01 -0.395288D+00
               176           177           178           179           180 
      1   0.302006D+00 -0.148800D+00  0.966503D+00  0.544571D+00  0.542491D-01
      2   0.941178D-01 -0.630326D-01  0.969949D+00 -0.970476D+00  0.120187D+01
      3   0.118562D+00 -0.113878D+01 -0.487642D+01 -0.157002D+01  0.443935D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.267145D+01  0.226811D+02  0.461278D+01 -0.231745D+02  0.739822D+01
      2  -0.518582D+01 -0.137262D+02 -0.516955D+00  0.225620D+02 -0.121719D+02
      3   0.251437D+01 -0.895487D+01 -0.409582D+01  0.612531D+00  0.477368D+01
      4   0.203961D+02  0.866306D+00  0.385737D+01  0.543998D+01  0.129664D+02
      5   0.923608D+00  0.359369D+01  0.524827D+01 -0.325552D+01  0.732719D+01
      6   0.210118D+01 -0.290126D+01 -0.511490D+01  0.597727D+01 -0.553417D+01
                 6             7             8             9            10 
      1   0.122154D+01 -0.652960D+01  0.592237D+01  0.532116D+00  0.764363D+01
      2  -0.126935D+01  0.800126D+01 -0.831621D+01 -0.633684D+01 -0.647947D+01
      3   0.478152D-01 -0.147167D+01  0.239384D+01  0.580472D+01 -0.116416D+01
      4   0.791995D+01  0.165622D+01  0.767902D+01 -0.132366D+02 -0.138434D+02
      5  -0.932133D+01  0.170266D+02 -0.139280D+02 -0.609581D+01 -0.964833D+00
      6   0.479194D+01 -0.709680D+01  0.121767D+02 -0.213140D+01 -0.288636D+01
                11            12            13            14            15 
      1  -0.136690D+02 -0.278682D+00  0.155275D+01  0.875335D+01  0.484387D+01
      2   0.110972D+02 -0.473294D+00 -0.885689D+01 -0.114661D+02 -0.599722D+01
      3   0.257186D+01  0.751976D+00  0.730414D+01  0.271270D+01  0.115335D+01
      4  -0.162055D+02 -0.393736D+01  0.116271D+02 -0.119145D+02 -0.133852D+01
      5  -0.381407D+01 -0.363302D+01  0.125683D+01 -0.137597D+01 -0.151447D+01
      6  -0.156264D+01  0.343589D+01 -0.480387D+01 -0.878310D+01  0.312760D+01
                16            17            18            19            20 
      1   0.198006D+01  0.198985D+01 -0.148739D+02 -0.229526D+02 -0.185092D+00
      2  -0.431355D+01 -0.689167D+01 -0.314390D+00  0.828886D+01 -0.102201D+00
      3   0.233349D+01  0.490183D+01  0.151883D+02  0.146637D+02  0.287293D+00
      4   0.195701D+00 -0.373467D+01 -0.602520D+01  0.115989D+02  0.274823D+01
      5   0.412467D+00 -0.476096D+01 -0.585811D+01  0.850972D-01  0.298576D+00
      6   0.310515D+01  0.119443D+02  0.541688D+01 -0.933040D+00 -0.139250D-01
                21            22            23            24            25 
      1   0.129302D+00  0.113039D+01 -0.993999D+01 -0.915411D-01 -0.725333D+01
      2  -0.642596D+00 -0.191028D+01  0.141824D+02  0.399256D+01  0.197332D+01
      3   0.513294D+00  0.779889D+00 -0.424241D+01 -0.390101D+01  0.528001D+01
      4   0.651299D+00 -0.125785D+02 -0.319937D+01 -0.183513D+01 -0.344841D+01
      5  -0.415646D+00 -0.356189D+01 -0.121553D+01  0.139564D+01  0.246769D+01
      6   0.559841D+00 -0.269415D+01  0.257488D+01 -0.208517D+01 -0.943703D+00
                26            27            28            29            30 
      1  -0.130772D+01 -0.102093D+02  0.513042D+01  0.162083D+02  0.467754D+01
      2   0.183578D+01 -0.277284D+01 -0.532048D+01 -0.121568D+02 -0.152574D+01
      3  -0.528052D+00  0.129821D+02  0.190058D+00 -0.405144D+01 -0.315180D+01
      4  -0.308145D+01  0.245437D+01  0.911965D+01 -0.974368D+01  0.341273D+00
      5   0.181111D+01 -0.411182D+00  0.193224D+01  0.690078D-01 -0.120035D+01
      6   0.445887D+01 -0.390607D+01  0.331150D+01 -0.315895D+01 -0.455751D+01
                31            32            33            34            35 
      1  -0.173316D+01  0.429597D+01  0.256963D+01  0.618275D-01  0.408358D+01
      2   0.104733D+02 -0.814757D+01 -0.202908D+01  0.249609D+01 -0.535712D+01
      3  -0.874015D+01  0.385160D+01 -0.540552D+00 -0.255792D+01  0.127354D+01
      4   0.546457D+01  0.141157D+02  0.211919D+01  0.138252D+01 -0.162512D+01
      5   0.138211D+01  0.203262D+01  0.130983D+01  0.382650D+01  0.335950D+01
      6   0.546197D+01 -0.346279D+01  0.575337D+01 -0.280450D+01  0.135933D+02
                36            37            38            39            40 
      1  -0.139906D+02  0.372512D+01 -0.214112D+02 -0.248859D+01  0.229961D+02
      2   0.184981D+01 -0.387519D+01  0.141151D+02  0.120021D+01 -0.214065D+02
      3   0.121408D+02  0.150064D+00  0.729611D+01  0.128838D+01 -0.158960D+01
      4   0.337397D+01 -0.141393D+02 -0.669806D+01 -0.537673D+01  0.652390D+01
      5  -0.150027D+01 -0.422454D+01 -0.511713D+01 -0.301176D+00 -0.777117D+00
      6   0.929824D+00 -0.566659D+01 -0.156417D+01  0.343957D+01 -0.437927D+01
                41            42            43            44            45 
      1   0.111532D+02  0.238946D+01  0.249442D+01 -0.265419D+01 -0.443528D+01
      2  -0.149058D+02 -0.524138D+01 -0.620832D+01 -0.512292D+01 -0.512052D+01
      3   0.375265D+01  0.285192D+01  0.371390D+01  0.777712D+01  0.955580D+01
      4  -0.562253D+01 -0.526390D+01 -0.525220D+01 -0.927818D+01  0.136738D+02
      5  -0.534764D+01  0.976018D+01  0.126496D+02  0.143787D+02  0.694083D+01
      6  -0.864445D+01  0.392584D+01  0.615903D+01  0.130147D+02  0.228856D+01
                46            47            48            49            50 
      1  -0.131064D+02 -0.868310D+00 -0.628612D+01  0.414354D+01 -0.221524D+02
      2   0.833602D+01  0.681358D+00  0.376090D+01 -0.252467D+01  0.187960D+02
      3   0.477034D+01  0.186952D+00  0.252522D+01 -0.161887D+01  0.335641D+01
      4  -0.142123D+01  0.217468D+02  0.974635D+00 -0.205745D+02 -0.630811D+01
      5  -0.788989D+01  0.846675D+00  0.147545D+02 -0.969897D+01 -0.286936D+01
      6   0.111235D+01  0.742161D+00  0.112849D+01 -0.288828D+01  0.357889D+01
                51            52            53            54            55 
      1  -0.621015D+01 -0.873315D+01 -0.650082D+01  0.125676D+02  0.157521D+02
      2   0.789802D+01  0.329077D+01  0.565711D+01 -0.171314D+02 -0.640556D+01
      3  -0.168788D+01  0.544239D+01  0.843712D+00  0.456379D+01 -0.934659D+01
      4  -0.354113D+01 -0.106177D+02  0.590222D+00 -0.497395D+00 -0.713572D+01
      5  -0.973870D+00  0.337869D+02  0.288077D+00  0.491799D+01  0.135602D+00
      6  -0.311362D+01  0.285431D+00  0.465713D+01 -0.263770D+01 -0.231392D+00
                56            57            58            59            60 
      1  -0.227272D+00  0.816414D+00  0.249719D+01 -0.696885D+01  0.168629D+01
      2   0.304914D+01  0.130188D+00  0.350355D+01  0.356256D+01  0.436257D+00
      3  -0.282187D+01 -0.946602D+00 -0.600074D+01  0.340629D+01 -0.212254D+01
      4  -0.164244D+02  0.459628D+01 -0.269122D+02 -0.178206D+01  0.242376D+01
      5   0.492101D+01 -0.111406D+02  0.732868D+01  0.153706D+01 -0.154874D+02
      6   0.103734D+01 -0.109513D+01  0.324628D+01  0.561949D+01 -0.102962D+02
                61            62            63            64            65 
      1   0.106193D+02  0.609517D+01  0.701137D+00 -0.367133D+02  0.557894D+01
      2   0.197358D+01  0.138820D+01  0.898471D+01  0.227316D+02 -0.616938D+01
      3  -0.125929D+02 -0.748337D+01 -0.968584D+01  0.139817D+02  0.590442D+00
      4   0.103028D+02  0.971663D+01 -0.203526D+02  0.913219D+01  0.114441D+02
      5  -0.184910D+02 -0.185359D+02 -0.209806D+02 -0.120018D+02 -0.457286D+01
      6  -0.983125D+01 -0.427006D+01 -0.615015D+01  0.263666D+01  0.300772D+01
                66            67            68            69            70 
      1  -0.962855D+01 -0.276452D+01 -0.162583D+01 -0.844122D+00 -0.870194D+01
      2   0.665519D+01 -0.218122D+01  0.142437D+02 -0.108258D+01  0.716133D+01
      3   0.297336D+01  0.494574D+01 -0.126179D+02  0.192671D+01  0.154061D+01
      4  -0.345987D+01  0.196305D+02 -0.196456D+02  0.781023D+01 -0.673906D+01
      5   0.397617D+01 -0.944196D+01  0.715266D+01  0.767729D+01  0.251269D+01
      6  -0.137021D+01  0.291093D+01 -0.813059D+01  0.261021D+01  0.186552D+01
                71            72            73            74            75 
      1   0.827783D+00 -0.141759D+01 -0.544989D+02 -0.163047D+02 -0.227798D+01
      2  -0.181513D+01 -0.665600D+01  0.223447D+02  0.150367D+02  0.416785D+01
      3   0.987346D+00  0.807359D+01  0.321542D+02  0.126804D+01 -0.188987D+01
      4   0.884166D+01  0.716272D+01 -0.199644D+02  0.128482D+02 -0.568018D+01
      5   0.669100D+01  0.217896D+02 -0.209658D+01 -0.297217D+01  0.921467D+01
      6  -0.495523D+00 -0.151930D+02 -0.401929D+01 -0.475417D+01  0.340396D+01
                76            77            78            79            80 
      1  -0.966703D+01  0.199901D+02  0.226443D+01 -0.107623D+02 -0.177296D+00
      2   0.882974D+01 -0.228226D+02  0.538250D+01  0.503616D+01  0.257733D+01
      3   0.837285D+00  0.283252D+01 -0.764693D+01  0.572616D+01 -0.240004D+01
      4   0.178907D+02 -0.443901D+01 -0.518672D+01 -0.146675D+02 -0.101309D+02
      5  -0.767300D+01 -0.783432D+01  0.142952D+02  0.133035D+02  0.156520D+02
      6  -0.601001D+01 -0.306082D+01  0.770724D+01  0.703788D+01  0.788650D+01
                81            82            83            84            85 
      1   0.121375D+02  0.195602D+01 -0.338037D+01 -0.224625D+01 -0.440214D+01
      2   0.880938D+01 -0.758077D+00  0.125901D+01  0.475161D+00  0.106205D+01
      3  -0.209469D+02 -0.119795D+01  0.212136D+01  0.177109D+01  0.334009D+01
      4   0.193399D+02 -0.396544D+01  0.136090D+01  0.317024D+01  0.539603D+01
      5   0.165884D+02 -0.288448D+01  0.250424D+01  0.682054D+00  0.369489D+01
      6   0.103882D+01  0.195682D+01 -0.118968D+01  0.152792D+00 -0.224123D+01
                86            87            88            89            90 
      1  -0.354245D+01 -0.321937D+00 -0.608171D+01 -0.118817D+01 -0.595184D+01
      2   0.509547D+01  0.251450D+01  0.240898D+01  0.324049D+01  0.263515D+01
      3  -0.155302D+01 -0.219256D+01  0.367273D+01 -0.205232D+01  0.331669D+01
      4  -0.967739D+01 -0.593942D+01  0.827773D+01 -0.117889D+02 -0.120438D+02
      5  -0.519017D+01 -0.112218D+02  0.640316D+01 -0.122907D+02 -0.224038D+02
      6   0.466143D+01  0.956237D+01 -0.313991D+01  0.103461D+02  0.150040D+02
                91            92            93            94            95 
      1   0.358014D+01  0.131186D+01  0.413987D+01  0.808272D+00 -0.262207D+01
      2  -0.583501D+01 -0.132587D+01 -0.450639D+01 -0.211887D+01 -0.482865D+00
      3   0.225487D+01  0.140051D-01  0.366511D+00  0.131060D+01  0.310493D+01
      4   0.451314D+01  0.652436D+01  0.239327D+01  0.933237D+01  0.621969D+01
      5   0.970672D+01  0.240854D+01  0.121551D+02  0.361165D+01  0.654805D+01
      6   0.311968D+01  0.348572D+00  0.177153D+01  0.219736D+01  0.471947D+01
                96            97            98            99           100 
      1  -0.306236D+01  0.234117D+01 -0.334350D+01 -0.108221D+02  0.320873D+01
      2  -0.945584D+00 -0.826726D+01 -0.233084D+01 -0.145924D+02 -0.423531D+01
      3   0.400794D+01  0.592609D+01  0.567434D+01  0.254145D+02  0.102659D+01
      4   0.691515D+01  0.300265D+01  0.666542D+01  0.915594D+01  0.829485D+00
      5   0.918041D+01  0.178982D+02  0.871471D+01  0.318077D+02 -0.315836D+01
      6   0.947329D+01  0.470959D+01  0.670440D+01  0.116316D+02 -0.236465D+00
               101           102           103           104           105 
      1   0.109890D+01 -0.650865D+01 -0.189808D+01 -0.467774D+01 -0.186898D+01
      2  -0.164617D+01  0.907056D+00  0.138417D+01  0.631539D+00 -0.563369D+01
      3   0.547263D+00  0.560159D+01  0.513907D+00  0.404620D+01  0.750267D+01
      4  -0.188548D+01 -0.753966D+00 -0.789204D+00 -0.313923D+01 -0.485916D+01
      5   0.841133D+00  0.108922D+01  0.353942D+01 -0.361294D+01 -0.880859D+01
      6   0.149015D+01 -0.119929D+01  0.179523D+00  0.165797D+01  0.320437D+01
               106           107           108           109           110 
      1  -0.541623D+01 -0.291359D+00 -0.172400D+02 -0.281126D+01  0.975930D+01
      2   0.406494D+01 -0.387354D+01 -0.176631D+02  0.572290D+01 -0.103351D+02
      3   0.135129D+01  0.416489D+01  0.349031D+02 -0.291164D+01  0.575764D+00
      4  -0.191410D+01 -0.615550D+01 -0.482643D+01  0.131343D+01 -0.211761D+01
      5   0.776851D+01 -0.226857D+01 -0.309902D+02  0.211609D+01 -0.335938D+00
      6   0.890867D+00  0.406911D+01 -0.942988D+01 -0.473516D-01  0.242317D+01
               111           112           113           114           115 
      1  -0.617333D+00  0.946237D+01 -0.270242D+02  0.232733D+01  0.208446D+01
      2  -0.397244D+00 -0.742298D+01  0.405831D+02 -0.143281D+01 -0.148930D+01
      3   0.101458D+01 -0.203939D+01 -0.135588D+02 -0.894516D+00 -0.595160D+00
      4   0.133931D+01  0.365799D+01  0.296803D+02 -0.264156D+01  0.230175D+01
      5  -0.212594D+01 -0.261757D+01 -0.379326D+00  0.364037D+01 -0.554823D+00
      6  -0.265980D+01  0.707243D+00 -0.870715D+01  0.647937D+01 -0.178784D+01
               116           117           118           119           120 
      1   0.151015D+01 -0.610232D+01  0.814110D+02  0.117153D+02  0.221306D+01
      2   0.174504D+00  0.360665D+01 -0.382286D+02 -0.278875D+01  0.287950D+00
      3  -0.168465D+01  0.249567D+01 -0.431824D+02 -0.892659D+01 -0.250101D+01
      4   0.977588D+00  0.162789D+01  0.345821D+02  0.165176D+02 -0.175296D+00
      5   0.243085D+01 -0.116480D+01 -0.957824D+01 -0.213129D+01  0.104596D+02
      6   0.656129D+01 -0.117722D+01 -0.374987D+00 -0.149655D+01  0.368018D+01
               121           122           123           124           125 
      1   0.358540D+01  0.604940D+01  0.659271D-01  0.879239D+01  0.685152D+00
      2   0.137017D+01  0.474321D+00 -0.356009D+00 -0.326461D+01  0.335295D+00
      3  -0.495557D+01 -0.652372D+01  0.290082D+00 -0.552779D+01 -0.102045D+01
      4   0.137957D+02  0.844707D+01  0.758438D+00  0.424865D+01  0.348585D+01
      5   0.192508D+00 -0.942112D-01 -0.522850D+00  0.104992D+02  0.726317D+00
      6  -0.921718D+00 -0.470389D+00  0.769426D+00  0.349266D+01  0.948563D+00
               126           127           128           129           130 
      1   0.643392D+01 -0.368301D+01  0.649781D+01  0.953031D+00  0.792083D+01
      2  -0.545153D+01  0.603630D+01 -0.930054D+01 -0.672173D+00 -0.109533D+02
      3  -0.982396D+00 -0.235329D+01  0.280273D+01 -0.280858D+00  0.303242D+01
      4   0.184273D+01 -0.786067D+01  0.664491D+01  0.615440D+00  0.682019D+01
      5   0.657053D-01 -0.676547D-01  0.912695D+00  0.445791D+00  0.737857D+00
      6   0.630957D+00 -0.577164D+00 -0.304289D+00 -0.192519D+01 -0.797084D+00
               131           132           133           134           135 
      1  -0.240232D+02 -0.237065D+01  0.507938D+00 -0.170644D+01 -0.112843D+01
      2   0.327130D+02  0.183749D+01 -0.825895D+00  0.222717D+01  0.171284D+01
      3  -0.868979D+01  0.533160D+00  0.317956D+00 -0.520732D+00 -0.584412D+00
      4  -0.598631D+01 -0.356916D+00  0.135148D+00  0.891413D-01 -0.161644D+01
      5  -0.915684D+00 -0.830729D+00  0.781010D+00 -0.935022D+00  0.826057D-01
      6   0.267385D+01  0.518341D+01 -0.913532D+00  0.230546D+01  0.571653D+00
               136           137           138           139           140 
      1   0.871391D+01  0.693731D+01  0.126864D+01  0.103980D+01 -0.103341D+02
      2   0.203907D+01  0.423207D+01 -0.705366D-01  0.106364D+02  0.314347D+02
      3  -0.107530D+02 -0.111694D+02 -0.119811D+01 -0.116762D+02 -0.211007D+02
      4   0.231966D+02  0.259102D+02  0.520001D+01  0.276092D+02  0.477267D+02
      5   0.489246D+01  0.493227D+01  0.525801D+01  0.503570D+01  0.786093D+01
      6   0.352604D+01  0.384964D+01  0.336490D+01  0.495107D+01  0.102650D+02
               141           142           143           144           145 
      1  -0.217224D+01  0.871532D+00 -0.137070D+01 -0.125073D+01  0.101305D+03
      2   0.374996D+01  0.140159D+01  0.471515D+01  0.254181D+01 -0.583289D+02
      3  -0.157772D+01 -0.227313D+01 -0.334445D+01 -0.129108D+01 -0.429765D+02
      4   0.848079D+01  0.667675D+01  0.100764D+02  0.428648D+01  0.412634D+01
      5   0.646096D+01  0.254554D+01  0.350974D+01  0.238484D+01  0.116761D+02
      6   0.829614D+01  0.255148D+01  0.495878D+01  0.297149D+01 -0.199579D+01
               146           147           148           149           150 
      1   0.292570D+01  0.780455D+01  0.169086D+01  0.964472D+01  0.118216D+01
      2  -0.145295D+01 -0.549560D+01 -0.742441D+00 -0.478925D+01 -0.100209D+01
      3  -0.147275D+01 -0.230895D+01 -0.948419D+00 -0.485547D+01 -0.180068D+00
      4   0.858123D+01 -0.602757D-01  0.151214D+02  0.119174D+01  0.145418D+01
      5  -0.423552D-01  0.117486D+02  0.235676D+01  0.149022D+01  0.527536D+00
      6   0.558187D+00 -0.952814D-02  0.105821D+01 -0.153017D+00  0.143952D+01
               151           152           153           154           155 
      1   0.100497D+02  0.139993D+01  0.472662D+01  0.157950D+02 -0.106150D+02
      2  -0.609461D+01 -0.868697D+00 -0.302228D+01 -0.686795D+00 -0.310475D+01
      3  -0.395510D+01 -0.531237D+00 -0.170434D+01 -0.151082D+02  0.137197D+02
      4   0.251939D+01  0.115725D+01  0.407282D+00 -0.292817D+02  0.294892D+02
      5   0.497063D+01  0.225130D+00  0.253026D+01 -0.377508D+01  0.284059D+01
      6  -0.278291D-01  0.711126D+00  0.311393D+00  0.132126D+01 -0.103596D+01
               156           157           158           159           160 
      1  -0.145521D+01 -0.565926D+01 -0.175221D+01  0.415136D-01  0.181332D+00
      2   0.455865D+00 -0.884129D+01  0.233418D+02  0.107686D+01 -0.144048D+01
      3   0.999344D+00  0.145006D+02 -0.215896D+02 -0.111837D+01  0.125915D+01
      4   0.259634D+01  0.324298D+02 -0.474445D+02 -0.545813D+01  0.380941D+01
      5   0.515757D+01  0.487644D+01 -0.623571D+01 -0.601462D+01  0.234770D+01
      6  -0.304543D+01 -0.302524D+01  0.473466D+01  0.632770D+01 -0.193246D+01
               161           162           163           164           165 
      1  -0.926864D+00 -0.558828D+00 -0.532694D+01 -0.738293D+01 -0.262435D+01
      2   0.278258D+01  0.172918D+01  0.652040D+01  0.856814D+01  0.159998D+01
      3  -0.185572D+01 -0.117035D+01 -0.119346D+01 -0.118521D+01  0.102436D+01
      4  -0.586451D+01 -0.362173D+01  0.521047D+01  0.691662D+01  0.123036D+01
      5  -0.265171D+01 -0.135046D+01  0.470155D+00  0.832164D+00  0.128200D+01
      6   0.339493D+01  0.167848D+01  0.258934D+01  0.371141D+01  0.280732D+01
               166           167           168           169           170 
      1  -0.790532D+01 -0.282354D+02 -0.705991D+01 -0.233500D+01 -0.668358D+01
      2   0.995229D+01  0.359812D+02  0.617639D+01  0.245960D+01  0.726547D+01
      3  -0.204697D+01 -0.774577D+01  0.883515D+00 -0.124594D+00 -0.581886D+00
      4   0.586096D+01  0.178245D+01  0.209956D-01  0.143805D+01  0.779908D+00
      5   0.647587D+00 -0.693352D+00  0.144569D+00  0.115022D+01  0.689716D+00
      6   0.326223D+01  0.112972D+02  0.805789D+01  0.152536D+01  0.475481D+01
               171           172           173           174           175 
      1  -0.309923D+01  0.649844D+02 -0.955881D+01  0.112097D+02 -0.179465D+00
      2   0.315004D+01 -0.350732D+02  0.351418D+01 -0.704640D+01 -0.170341D+01
      3  -0.508097D-01 -0.299112D+02  0.604462D+01 -0.416325D+01  0.188287D+01
      4   0.199852D+01 -0.255727D+02  0.108857D+02 -0.322039D+01  0.684288D+01
      5   0.103252D+01  0.172633D+02 -0.171302D+01  0.995264D+01  0.236558D+01
      6   0.329346D+01 -0.470641D+01  0.813233D+00 -0.276749D+01  0.368616D+00
               176           177           178           179           180 
      1   0.267368D+01  0.254190D+01  0.141226D+02  0.768827D+00  0.557634D+01
      2  -0.374045D+00 -0.233907D+01 -0.100702D+02 -0.490796D+00 -0.436316D+01
      3  -0.229964D+01 -0.202832D+00 -0.405242D+01 -0.278031D+00 -0.121318D+01
      4  -0.213762D+01  0.107774D+01 -0.330771D+01  0.160014D+01 -0.310341D+01
      5   0.181548D+01  0.303696D+00  0.112845D+02 -0.227209D+01  0.517475D+01
      6  -0.534525D+00  0.139262D+01 -0.231124D+01  0.168926D+01 -0.839974D+00
 Leave Link  716 at Thu Aug 12 22:01:40 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132589D+03  0.833897D+00  0.255986D+01
      2   0.833897D+00  0.109410D+03  0.430175D+01
      3   0.255986D+01  0.430175D+01  0.726073D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.894207D+00 -0.544261D+00  0.300739D+01
      2   0.110812D+02  0.110511D+02 -0.890842D+01
      3  -0.298459D+00 -0.296135D+02 -0.109280D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.661859D+02  0.342957D+01  0.737798D+01
      2  -0.268226D+02 -0.686182D+01 -0.110010D+02
      3  -0.393633D+02  0.343225D+01  0.362305D+01
      4  -0.138210D+02  0.502614D+02  0.262161D+02
      5   0.184037D+02  0.277918D+02 -0.229372D+02
      6   0.965401D+01  0.561351D+01 -0.773385D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.236859D+01 -0.171559D+00 -0.456511D+00 -0.500273D+01 -0.633234D+00
      2  -0.171559D+00  0.204805D+01  0.644211D+00 -0.633234D+00 -0.630909D+00
      3  -0.456511D+00  0.644211D+00  0.144087D+01 -0.853795D+00  0.906237D+00
                 6             7             8             9            10 
      1  -0.853795D+00 -0.157123D+01 -0.308417D+00  0.268813D+01  0.346317D+01
      2   0.906237D+00 -0.308417D+00  0.160044D+01 -0.306068D+01  0.181619D+01
      3  -0.182336D+01  0.268813D+01 -0.306068D+01 -0.876546D+00  0.545075D+00
                11            12            13            14            15 
      1   0.181619D+01  0.545075D+00 -0.652400D+01 -0.669107D+00  0.230685D+00
      2  -0.250513D+01  0.163681D+00 -0.669107D+00 -0.143083D+01  0.919151D+00
      3   0.163681D+00 -0.103509D+01  0.230685D+00  0.919151D+00 -0.157704D+01
                16            17            18            19            20 
      1  -0.391249D-01  0.834907D+00 -0.796788D+00 -0.162004D+02 -0.238926D+01
      2   0.834907D+00  0.509586D+00 -0.313019D+01 -0.238926D+01 -0.262707D+01
      3  -0.796788D+00 -0.313019D+01 -0.222199D+01 -0.663983D+00 -0.246380D+00
                21            22            23            24            25 
      1  -0.663983D+00 -0.287781D+01  0.142849D+01  0.914319D+00 -0.779660D+00
      2  -0.246380D+00  0.142849D+01  0.852175D-01 -0.164062D-02  0.918548D+00
      3  -0.172414D+01  0.914319D+00 -0.164062D-02 -0.217115D+00 -0.348576D+01
                26            27            28            29            30 
      1   0.918548D+00 -0.348576D+01  0.414165D+01 -0.837371D+00  0.329495D+00
      2   0.172192D+00 -0.557667D+00 -0.837371D+00 -0.280031D+01 -0.712744D+00
      3  -0.557667D+00 -0.138309D+01  0.329495D+00 -0.712744D+00 -0.170968D+01
                31            32            33            34            35 
      1   0.762353D+01  0.104964D+00  0.808453D-01  0.259965D+01 -0.330581D+00
      2   0.104964D+00  0.169466D+01 -0.525967D+00 -0.330581D+00 -0.104902D+01
      3   0.808453D-01 -0.525967D+00  0.185056D+01 -0.154122D+01  0.338567D+01
                36            37            38            39            40 
      1  -0.154122D+01 -0.316021D+01 -0.132169D+00 -0.508595D+00  0.468817D+01
      2   0.338567D+01 -0.132169D+00  0.220922D+01 -0.302277D+00 -0.277952D+00
      3   0.894983D+00 -0.508595D+00 -0.302277D+00  0.892034D+00 -0.224845D+00
                41            42            43            44            45 
      1  -0.277952D+00 -0.224845D+00  0.188410D+00 -0.828423D+00  0.212229D+01
      2   0.880584D+00 -0.765704D+00 -0.828423D+00 -0.776882D+00  0.337667D+01
      3  -0.765704D+00  0.174705D+01  0.212229D+01  0.337667D+01  0.207470D+01
                46            47            48            49            50 
      1   0.514293D+01  0.233762D+00 -0.572753D+00  0.799056D+00 -0.370926D+00
      2   0.233762D+00  0.305912D+01  0.113038D+00 -0.370926D+00 -0.871281D-01
      3  -0.572753D+00  0.113038D+00  0.242958D+01 -0.103226D+01 -0.280006D+00
                51            52            53            54            55 
      1  -0.103226D+01 -0.434960D+00 -0.101922D+01  0.500196D+01  0.274256D+01
      2  -0.280006D+00 -0.101922D+01  0.100778D+00  0.102930D+00  0.182822D+01
      3  -0.956102D-01  0.500196D+01  0.102930D+00  0.123193D+01  0.736253D-01
                56            57            58            59            60 
      1   0.182822D+01  0.736253D-01  0.562874D+01  0.426195D+01 -0.932933D+00
      2   0.271732D+01 -0.110785D+01  0.426195D+01  0.655330D+00 -0.267959D+00
      3  -0.110785D+01  0.156359D+01 -0.932933D+00 -0.267959D+00  0.380054D+01
                61            62            63            64            65 
      1  -0.384955D-01 -0.157212D+01  0.370617D+01  0.740482D+01  0.420372D+00
      2  -0.157212D+01 -0.163959D+01  0.386447D+01  0.420372D+00 -0.116531D+01
      3   0.370617D+01  0.386447D+01  0.510319D+01  0.114290D+01  0.990085D+00
                66            67            68            69            70 
      1   0.114290D+01  0.745691D+00 -0.220904D+01  0.132528D+01  0.108967D+01
      2   0.990085D+00 -0.220904D+01  0.309132D+01 -0.142407D+01  0.136246D+01
      3   0.193492D-02  0.132528D+01 -0.142407D+01 -0.182640D+01  0.415167D-01
                71            72            73            74            75 
      1   0.136246D+01  0.415167D-01  0.871810D+01  0.106745D+01  0.154188D+01
      2  -0.134051D+01 -0.133626D+01  0.106745D+01 -0.329804D+01  0.103028D+01
      3  -0.133626D+01 -0.462293D+01  0.154188D+01  0.103028D+01 -0.161450D+01
                76            77            78            79            80 
      1  -0.215410D+01 -0.386220D+01  0.152322D+01  0.456851D+01  0.212935D+01
      2  -0.386220D+01  0.265595D+01  0.877867D+00  0.212935D+01  0.200260D+01
      3   0.152322D+01  0.877867D+00 -0.312061D+01 -0.202611D+01 -0.312666D+01
                81            82            83            84            85 
      1  -0.202611D+01 -0.137073D+00  0.486470D+00  0.512774D+00  0.101130D+01
      2  -0.312666D+01  0.486470D+00  0.178099D-01 -0.328311D+00 -0.620361D+00
      3  -0.431367D+01  0.512774D+00 -0.328311D+00  0.209500D+00 -0.643397D+00
                86            87            88            89            90 
      1  -0.620361D+00 -0.643397D+00  0.183637D+01 -0.105582D+01 -0.946390D+00
      2   0.201576D+01  0.104226D+01 -0.105582D+01  0.223385D+01  0.250634D+01
      3   0.104226D+01  0.222787D+01 -0.946390D+00  0.250634D+01  0.460828D+01
                91            92            93            94            95 
      1  -0.167791D+01 -0.738589D+00 -0.175408D+01 -0.242449D+01 -0.153932D+01
      2  -0.738589D+00 -0.727291D+00 -0.243964D+00 -0.153932D+01 -0.129595D+01
      3  -0.175408D+01 -0.243964D+00 -0.142090D+01 -0.555891D+00 -0.153998D+01
                96            97            98            99           100 
      1  -0.555891D+00 -0.389440D+01 -0.468337D+00 -0.279949D+01 -0.452467D+00
      2  -0.153998D+01 -0.468337D+00 -0.140705D+01 -0.194332D+01  0.104001D+00
      3  -0.217961D+01 -0.279949D+01 -0.194332D+01 -0.747704D+01  0.775087D+00
               101           102           103           104           105 
      1   0.104001D+00  0.775087D+00  0.907732D+00  0.296943D+00 -0.414696D+00
      2   0.597335D+00 -0.123763D+00  0.296943D+00  0.415662D+00  0.101179D+01
      3  -0.123763D+00  0.963302D+00 -0.414696D+00  0.101179D+01  0.199495D+01
               106           107           108           109           110 
      1   0.106817D+01  0.352941D-01 -0.534378D+00  0.925676D+00 -0.103080D+01
      2   0.352941D-01  0.121202D+01  0.521977D+00 -0.103080D+01  0.173864D+01
      3  -0.534378D+00  0.521977D+00  0.738645D+01 -0.339330D+00 -0.393700D+00
               111           112           113           114           115 
      1  -0.339330D+00 -0.174372D+01  0.772993D+00  0.482881D-01 -0.760113D+00
      2  -0.393700D+00  0.772993D+00 -0.796031D+01  0.654092D+00 -0.301815D+00
      3   0.674375D+00  0.482881D-01  0.654092D+00 -0.102013D+01  0.383029D+00
               116           117           118           119           120 
      1  -0.301815D+00  0.383029D+00 -0.129627D+02 -0.246720D+01  0.460894D-01
      2  -0.333281D-01 -0.785507D+00 -0.246720D+01 -0.143013D+01  0.142788D+00
      3  -0.785507D+00  0.436490D+00  0.460894D-01  0.142788D+00 -0.118025D+01
               121           122           123           124           125 
      1  -0.853037D+00 -0.129338D+01 -0.197650D+00 -0.188143D+01 -0.432004D+00
      2  -0.129338D+01 -0.105818D+01 -0.110307D+00 -0.432004D+00 -0.614419D+00
      3  -0.197650D+00 -0.110307D+00  0.223945D+00 -0.116932D+01  0.768362D-02
               126           127           128           129           130 
      1  -0.116932D+01 -0.319410D+01  0.212141D+01 -0.898502D-01  0.227079D+01
      2   0.768362D-02  0.212141D+01 -0.224221D+01 -0.141551D+00 -0.262830D+01
      3   0.285624D-01 -0.898502D-01 -0.141551D+00 -0.259393D+00 -0.192845D+00
               131           132           133           134           135 
      1  -0.262830D+01 -0.192845D+00 -0.336962D+00 -0.731958D-01 -0.180490D-01
      2   0.671665D+01  0.515991D+00 -0.731958D-01  0.479890D+00  0.173510D+00
      3   0.515991D+00  0.784577D+00 -0.180490D-01  0.173510D+00  0.404246D-02
               136           137           138           139           140 
      1   0.298363D+01  0.305192D+01  0.728677D+00  0.274860D+01  0.409019D+01
      2   0.305192D+01  0.315154D+01  0.712910D+00  0.409019D+01  0.866908D+01
      3   0.728677D+00  0.712910D+00  0.619451D+00  0.811568D+00  0.160061D+01
               141           142           143           144           145 
      1   0.811568D+00  0.761102D+00  0.991598D+00  0.349598D+00  0.134045D+02
      2   0.160061D+01  0.991598D+00  0.183609D+01  0.534111D+00  0.388631D+00
      3   0.122544D+01  0.349598D+00  0.534111D+00  0.313106D+00  0.125489D+01
               146           147           148           149           150 
      1   0.388631D+00  0.125489D+01  0.274332D+00  0.162855D+01  0.302444D+00
      2   0.793551D+00  0.111517D-02  0.162855D+01  0.139715D+00  0.169958D+00
      3   0.111517D-02  0.114005D+01  0.302444D+00  0.169958D+00  0.778653D-01
               151           152           153           154           155 
      1   0.142909D+01  0.309171D+00  0.266950D+00  0.411002D+01 -0.358900D+01
      2   0.309171D+00  0.103425D+00  0.561270D-02 -0.358900D+01  0.353554D+01
      3   0.266950D+00  0.561270D-02  0.223828D+00 -0.359367D+00  0.278176D+00
               156           157           158           159           160 
      1  -0.359367D+00 -0.343573D+01  0.448459D+01  0.654565D+00 -0.364532D+00
      2   0.278176D+00  0.448459D+01 -0.760806D+01 -0.912082D+00  0.551265D+00
      3   0.575416D+00  0.654565D+00 -0.912082D+00 -0.955531D+00  0.168303D+00
               161           162           163           164           165 
      1   0.551265D+00  0.168303D+00 -0.215384D+01 -0.199673D+01 -0.414294D+00
      2  -0.111369D+01 -0.371099D+00 -0.199673D+01 -0.199498D+01 -0.564281D+00
      3  -0.371099D+00 -0.243230D+00 -0.414294D+00 -0.564281D+00 -0.435085D+00
               166           167           168           169           170 
      1  -0.190659D+01 -0.234784D+01 -0.509033D+00 -0.568561D+00 -0.758427D+00
      2  -0.234784D+01 -0.731802D+01 -0.162052D+01 -0.758427D+00 -0.176563D+01
      3  -0.509033D+00 -0.162052D+01 -0.120990D+01 -0.182819D+00 -0.566240D+00
               171           172           173           174           175 
      1  -0.182819D+00 -0.107297D+02  0.183425D+01 -0.179173D+01  0.224264D+00
      2  -0.566240D+00  0.183425D+01 -0.107767D+01  0.885411D-01 -0.617004D+00
      3  -0.423480D+00 -0.179173D+01  0.885411D-01 -0.113107D+01 -0.333871D+00
               176           177           178           179           180 
      1  -0.617004D+00 -0.333871D+00 -0.287150D+01  0.157750D-01 -0.122762D+01
      2   0.369461D+00 -0.249729D+00  0.157750D-01 -0.510757D+00  0.398638D+00
      3  -0.249729D+00  0.925188D-01 -0.122762D+01  0.398638D+00 -0.743596D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.968213D+00 -0.122439D+00  0.228547D+01 -0.133536D+01  0.349045D+00
      2  -0.613906D+00  0.213726D+01  0.233944D+01 -0.937969D+00  0.289277D+01
      3  -0.118379D+01 -0.126547D+02 -0.198891D+01  0.493968D+01 -0.109826D+01
                 6             7             8             9            10 
      1  -0.204813D+01  0.618455D+01  0.260360D+01  0.179408D+01  0.152411D+00
      2  -0.470922D+01 -0.522999D+01 -0.930978D+01 -0.244241D+01  0.298884D+01
      3  -0.197609D+01 -0.273958D+00 -0.408661D+01  0.394286D+01 -0.536543D+00
                11            12            13            14            15 
      1   0.717043D+00 -0.172483D+01  0.123293D+01 -0.781315D+00 -0.250789D+01
      2   0.161806D+01 -0.783299D+00  0.136183D+01 -0.113228D+01 -0.177509D+01
      3  -0.244412D+01 -0.176685D+01  0.164723D+01  0.670533D+01  0.120874D-01
                16            17            18            19            20 
      1  -0.520090D+01  0.271819D+01 -0.149915D+01  0.547463D+00 -0.357033D+00
      2  -0.130041D+02 -0.113161D+01 -0.319717D+01  0.174524D+00 -0.125859D+01
      3  -0.401963D+01 -0.841540D+00  0.526006D+01 -0.643914D+01  0.683585D+01
                21            22            23            24            25 
      1  -0.672080D+00 -0.281008D+01 -0.129317D+01  0.129070D+01  0.957994D+00
      2  -0.168900D+01 -0.156365D+01  0.329079D+00  0.769897D+00 -0.129645D+02
      3   0.339490D+00  0.144913D+02  0.174484D+00  0.451483D+00 -0.346898D+00
                26            27            28            29            30 
      1   0.911292D+01  0.233522D+01 -0.955839D+00 -0.240813D+00  0.235101D+01
      2   0.371465D+00 -0.688831D-01  0.204992D+01  0.336507D-01 -0.782792D+00
      3   0.292963D+01 -0.493672D+00  0.654774D+01 -0.210133D+01  0.140259D+01
                31            32            33            34            35 
      1  -0.883883D+00 -0.351736D+00 -0.247794D+01  0.472518D+01  0.313081D+01
      2   0.313599D+01  0.101698D+01  0.120441D+01 -0.126404D+02  0.843957D+00
      3   0.671802D+01 -0.511830D+01  0.250443D+00  0.223448D+01 -0.698515D+00
                36            37            38            39            40 
      1  -0.773250D-01  0.822011D+00  0.635621D+00 -0.143943D+01  0.102038D+01
      2  -0.662184D+00  0.164159D+00  0.109711D+01  0.613691D+00  0.628900D+00
      3  -0.531932D+01 -0.368624D+01 -0.969334D+01 -0.181726D+01  0.589473D+01
                41            42            43            44            45 
      1   0.257625D-01 -0.236257D+01 -0.503211D+01  0.165673D+01 -0.695991D+00
      2  -0.264398D+01  0.477720D+01 -0.704256D+01  0.863097D+01  0.353504D+01
      3  -0.194904D+01  0.159477D+01 -0.409722D+00  0.188581D+01 -0.450291D+01
                46            47            48            49            50 
      1   0.856194D-01 -0.855069D+00 -0.489945D+00 -0.131574D+01 -0.242191D+01
      2  -0.133927D+00 -0.512688D-01  0.693684D+01 -0.322319D+01 -0.154153D+00
      3   0.595237D+00 -0.693446D+01  0.770887D-01  0.108140D+02  0.324477D+01
                51            52            53            54            55 
      1   0.159978D+01 -0.106395D+01  0.109312D+02  0.171164D+01 -0.169766D+01
      2  -0.381816D+00  0.720883D+01  0.626920D+00  0.199698D+01  0.125198D+01
      3   0.179050D+01  0.331176D+01  0.929988D+00  0.685630D+00  0.639003D+01
                56            57            58            59            60 
      1  -0.357031D+00  0.208182D+00 -0.205072D+01 -0.980762D+00  0.109636D+01
      2   0.205519D+01 -0.125101D+01  0.350563D+01  0.219858D+01 -0.593510D+01
      3   0.221200D+01 -0.118344D+01  0.132328D+02 -0.393597D+01  0.588118D+00
                61            62            63            64            65 
      1   0.400702D+01  0.670783D+01 -0.603647D+00 -0.283503D+01 -0.139492D+01
      2  -0.134154D+02 -0.787667D+01 -0.795665D+01  0.150486D+00 -0.165788D+01
      3  -0.151316D+01 -0.456926D+01  0.800347D+01  0.160468D+02 -0.855021D+01
                66            67            68            69            70 
      1   0.156431D+00 -0.676524D+00 -0.960048D+00 -0.885554D+00 -0.388912D+01
      2   0.397650D+01 -0.160371D+01  0.213251D+01  0.424849D+01 -0.380021D+01
      3   0.492708D+01  0.269449D+01  0.656068D+01 -0.247627D+01  0.464523D+01
                71            72            73            74            75 
      1   0.796431D+01  0.903701D+01  0.402936D+01 -0.193342D+01 -0.218682D+01
      2   0.543413D+01  0.105000D+02 -0.111007D+02 -0.464287D+01  0.617324D+01
      3  -0.157298D+01 -0.429718D+01 -0.927851D+01 -0.157176D+02  0.726919D+00
                76            77            78            79            80 
      1   0.642175D+00  0.814128D+01 -0.752302D+01 -0.113534D+01 -0.210176D+01
      2  -0.589297D+01 -0.404118D+00  0.683118D+01  0.131427D+01  0.673535D+01
      3  -0.892962D+01  0.166175D+02  0.328351D+00  0.173200D+01  0.203784D+01
                81            82            83            84            85 
      1  -0.777990D+01 -0.590983D+00  0.646326D+00 -0.145661D+00  0.114391D+01
      2   0.122930D+02 -0.194656D+01  0.105372D+01 -0.167229D+00  0.159939D+01
      3  -0.648579D+01  0.222241D+01  0.440751D+00 -0.730375D-01  0.102415D+01
                86            87            88            89            90 
      1  -0.208983D+01 -0.515045D+01  0.221133D+01 -0.315589D+01 -0.102377D+02
      2  -0.259967D+01 -0.588958D+01  0.116425D+00 -0.649660D+01 -0.109270D+02
      3   0.424850D+01  0.204866D+01  0.548272D+00  0.557207D+01  0.626681D+01
                91            92            93            94            95 
      1  -0.684565D+00  0.108379D+01 -0.462481D+00  0.101339D+01  0.813425D+00
      2   0.182189D+01  0.364973D+00  0.262202D+01 -0.317293D+00  0.174166D+01
      3  -0.160726D+01 -0.346625D+01 -0.298976D+00 -0.167720D+01 -0.182263D+01
                96            97            98            99           100 
      1  -0.101573D+01 -0.127649D+01  0.199872D+01 -0.147680D+01  0.119516D+01
      2   0.394963D+01  0.108179D+01  0.319546D+01  0.122512D+02 -0.231135D+01
      3  -0.337773D+01  0.109962D+00 -0.301953D+01 -0.427702D+01  0.989883D+00
               101           102           103           104           105 
      1   0.101496D+01  0.101348D+01  0.194678D+00  0.234026D+01  0.229553D+01
      2  -0.380194D-01 -0.218274D+01 -0.387102D+00 -0.276531D+01 -0.477616D+01
      3   0.116133D+01 -0.964985D+00  0.141458D+01  0.696666D+00  0.266378D+01
               106           107           108           109           110 
      1  -0.360163D+00  0.467151D+01  0.103781D+02 -0.205202D+01  0.153530D+01
      2  -0.268065D+01 -0.191408D+01 -0.181404D+02 -0.258778D+00  0.148256D+01
      3  -0.117494D+01  0.318824D+01  0.213794D+01 -0.750010D+01  0.665515D+01
               111           112           113           114           115 
      1   0.159388D+01  0.154301D+01 -0.584063D+01 -0.323197D+01  0.894665D+00
      2  -0.940453D+00  0.134114D+01 -0.261636D+01  0.178709D+01 -0.171887D+01
      3   0.138313D+00  0.907581D+01 -0.222098D+02  0.125990D+01  0.133567D+01
               116           117           118           119           120 
      1  -0.247000D+00  0.260405D+00 -0.737664D+00 -0.727660D+00 -0.193157D+01
      2   0.157694D+01 -0.103071D+01  0.760966D+01  0.903875D+00  0.621000D+01
      3  -0.333643D+00 -0.276843D+01  0.104222D+02 -0.414384D+01  0.597303D+00
               121           122           123           124           125 
      1  -0.708048D+00 -0.883140D+00 -0.444245D+00 -0.149525D+01  0.619104D+00
      2   0.139696D+01  0.864664D+00 -0.294518D+00  0.233261D+01 -0.161181D+00
      3  -0.494683D+00 -0.214519D+01 -0.340357D+00  0.432649D+00 -0.117717D+01
               126           127           128           129           130 
      1   0.532100D-01  0.982066D+00 -0.382812D+00  0.158027D+01  0.409991D-01
      2   0.417049D+00  0.144462D+01 -0.220777D+00 -0.840222D-01 -0.509626D+00
      3   0.158541D+01 -0.999944D+01  0.455570D+01 -0.406307D+00  0.764986D+01
               131           132           133           134           135 
      1  -0.296174D-01 -0.321038D+01 -0.346667D+00  0.148810D+01  0.486107D-01
      2   0.779236D+00 -0.643944D+00 -0.158802D+01  0.367330D+00  0.287051D-01
      3  -0.667059D+01 -0.665525D+00 -0.552482D+00  0.277062D-01  0.320070D-01
               136           137           138           139           140 
      1  -0.214164D+00 -0.795181D-02 -0.197343D+01 -0.179680D+00  0.394788D+00
      2   0.502598D+00  0.731765D+00  0.211246D+01  0.687375D+00  0.256764D+01
      3  -0.101982D+01 -0.294196D+01 -0.441818D+00 -0.213089D+01 -0.131431D+02
               141           142           143           144           145 
      1  -0.405081D+01  0.539391D+00  0.181862D+01 -0.427863D+00 -0.109760D+00
      2   0.357151D+01 -0.386889D+00  0.114756D-01  0.663776D+00  0.180859D+01
      3  -0.221585D+01 -0.635444D+00 -0.273029D+01 -0.415247D+00  0.213149D+00
               146           147           148           149           150 
      1   0.408143D+00 -0.207433D+00  0.203125D+00 -0.230461D-01 -0.279172D+00
      2  -0.144991D+00  0.653848D+01  0.124136D+01  0.372726D+00  0.369937D+00
      3  -0.522905D+01  0.252234D+00 -0.414913D+01 -0.260648D+00 -0.453742D+00
               151           152           153           154           155 
      1   0.123491D+00  0.602350D+00 -0.242478D-01  0.278273D+00 -0.665830D+00
      2  -0.235915D+01  0.329982D-01  0.646375D+00  0.266084D+00 -0.375351D+00
      3  -0.113836D+01 -0.548331D+00 -0.271189D+00  0.142343D+01 -0.443173D+01
               156           157           158           159           160 
      1   0.206395D+01  0.269409D+00  0.165657D+00 -0.361905D+01 -0.784192D+00
      2   0.235764D+01  0.544248D+00 -0.106725D+01 -0.334733D+01 -0.571271D+00
      3  -0.425505D-01 -0.325349D+01  0.121936D+02  0.110741D+01 -0.802709D+00
               161           162           163           164           165 
      1   0.139095D+01 -0.298551D+00  0.715274D+00  0.394012D+00 -0.165870D+01
      2   0.286710D+00 -0.451466D+00 -0.160429D+01 -0.103437D+01  0.904523D-01
      3   0.213961D+01  0.501762D+00  0.793087D+01  0.473220D+01  0.841912D+00
               166           167           168           169           170 
      1   0.532068D+00  0.973900D+00 -0.363270D+01  0.400458D+00  0.224341D+01
      2  -0.156290D+01 -0.160683D+01  0.306437D+00 -0.193642D+01 -0.682680D+00
      3   0.774809D+01  0.822277D+01  0.182491D+01  0.139370D+01  0.243699D+01
               171           172           173           174           175 
      1  -0.400914D+00  0.203826D+01  0.609782D+00  0.163969D+01  0.839972D+00
      2   0.669259D-01 -0.979888D+00  0.950234D-01  0.421581D+01  0.555591D+00
      3   0.370404D+00 -0.119573D+02 -0.298271D+01 -0.246926D+01 -0.395288D+00
               176           177           178           179           180 
      1   0.302006D+00 -0.148800D+00  0.966503D+00  0.544571D+00  0.542491D-01
      2   0.941178D-01 -0.630326D-01  0.969949D+00 -0.970476D+00  0.120187D+01
      3   0.118562D+00 -0.113878D+01 -0.487642D+01 -0.157002D+01  0.443935D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.267145D+01  0.226811D+02  0.461278D+01 -0.231745D+02  0.739822D+01
      2  -0.518582D+01 -0.137262D+02 -0.516955D+00  0.225620D+02 -0.121719D+02
      3   0.251437D+01 -0.895487D+01 -0.409582D+01  0.612531D+00  0.477368D+01
      4   0.203961D+02  0.866306D+00  0.385737D+01  0.543998D+01  0.129664D+02
      5   0.923608D+00  0.359369D+01  0.524827D+01 -0.325552D+01  0.732719D+01
      6   0.210118D+01 -0.290126D+01 -0.511490D+01  0.597727D+01 -0.553417D+01
                 6             7             8             9            10 
      1   0.122154D+01 -0.652960D+01  0.592237D+01  0.532116D+00  0.764363D+01
      2  -0.126935D+01  0.800126D+01 -0.831621D+01 -0.633684D+01 -0.647947D+01
      3   0.478152D-01 -0.147167D+01  0.239384D+01  0.580472D+01 -0.116416D+01
      4   0.791995D+01  0.165622D+01  0.767902D+01 -0.132366D+02 -0.138434D+02
      5  -0.932133D+01  0.170266D+02 -0.139280D+02 -0.609581D+01 -0.964833D+00
      6   0.479194D+01 -0.709680D+01  0.121767D+02 -0.213140D+01 -0.288636D+01
                11            12            13            14            15 
      1  -0.136690D+02 -0.278682D+00  0.155275D+01  0.875335D+01  0.484387D+01
      2   0.110972D+02 -0.473294D+00 -0.885689D+01 -0.114661D+02 -0.599722D+01
      3   0.257186D+01  0.751976D+00  0.730414D+01  0.271270D+01  0.115335D+01
      4  -0.162055D+02 -0.393736D+01  0.116271D+02 -0.119145D+02 -0.133852D+01
      5  -0.381407D+01 -0.363302D+01  0.125683D+01 -0.137597D+01 -0.151447D+01
      6  -0.156264D+01  0.343589D+01 -0.480387D+01 -0.878310D+01  0.312760D+01
                16            17            18            19            20 
      1   0.198006D+01  0.198985D+01 -0.148739D+02 -0.229526D+02 -0.185092D+00
      2  -0.431355D+01 -0.689167D+01 -0.314390D+00  0.828886D+01 -0.102201D+00
      3   0.233349D+01  0.490183D+01  0.151883D+02  0.146637D+02  0.287293D+00
      4   0.195701D+00 -0.373467D+01 -0.602520D+01  0.115989D+02  0.274823D+01
      5   0.412467D+00 -0.476096D+01 -0.585811D+01  0.850972D-01  0.298576D+00
      6   0.310515D+01  0.119443D+02  0.541688D+01 -0.933040D+00 -0.139250D-01
                21            22            23            24            25 
      1   0.129302D+00  0.113039D+01 -0.993999D+01 -0.915411D-01 -0.725333D+01
      2  -0.642596D+00 -0.191028D+01  0.141824D+02  0.399256D+01  0.197332D+01
      3   0.513294D+00  0.779889D+00 -0.424241D+01 -0.390101D+01  0.528001D+01
      4   0.651299D+00 -0.125785D+02 -0.319937D+01 -0.183513D+01 -0.344841D+01
      5  -0.415646D+00 -0.356189D+01 -0.121553D+01  0.139564D+01  0.246769D+01
      6   0.559841D+00 -0.269415D+01  0.257488D+01 -0.208517D+01 -0.943703D+00
                26            27            28            29            30 
      1  -0.130772D+01 -0.102093D+02  0.513042D+01  0.162083D+02  0.467754D+01
      2   0.183578D+01 -0.277284D+01 -0.532048D+01 -0.121568D+02 -0.152574D+01
      3  -0.528052D+00  0.129821D+02  0.190058D+00 -0.405144D+01 -0.315180D+01
      4  -0.308145D+01  0.245437D+01  0.911965D+01 -0.974368D+01  0.341273D+00
      5   0.181111D+01 -0.411182D+00  0.193224D+01  0.690078D-01 -0.120035D+01
      6   0.445887D+01 -0.390607D+01  0.331150D+01 -0.315895D+01 -0.455751D+01
                31            32            33            34            35 
      1  -0.173316D+01  0.429597D+01  0.256963D+01  0.618275D-01  0.408358D+01
      2   0.104733D+02 -0.814757D+01 -0.202908D+01  0.249609D+01 -0.535712D+01
      3  -0.874015D+01  0.385160D+01 -0.540552D+00 -0.255792D+01  0.127354D+01
      4   0.546457D+01  0.141157D+02  0.211919D+01  0.138252D+01 -0.162512D+01
      5   0.138211D+01  0.203262D+01  0.130983D+01  0.382650D+01  0.335950D+01
      6   0.546197D+01 -0.346279D+01  0.575337D+01 -0.280450D+01  0.135933D+02
                36            37            38            39            40 
      1  -0.139906D+02  0.372512D+01 -0.214112D+02 -0.248859D+01  0.229961D+02
      2   0.184981D+01 -0.387519D+01  0.141151D+02  0.120021D+01 -0.214065D+02
      3   0.121408D+02  0.150064D+00  0.729611D+01  0.128838D+01 -0.158960D+01
      4   0.337397D+01 -0.141393D+02 -0.669806D+01 -0.537673D+01  0.652390D+01
      5  -0.150027D+01 -0.422454D+01 -0.511713D+01 -0.301176D+00 -0.777117D+00
      6   0.929824D+00 -0.566659D+01 -0.156417D+01  0.343957D+01 -0.437927D+01
                41            42            43            44            45 
      1   0.111532D+02  0.238946D+01  0.249442D+01 -0.265419D+01 -0.443528D+01
      2  -0.149058D+02 -0.524138D+01 -0.620832D+01 -0.512292D+01 -0.512052D+01
      3   0.375265D+01  0.285192D+01  0.371390D+01  0.777712D+01  0.955580D+01
      4  -0.562253D+01 -0.526390D+01 -0.525220D+01 -0.927818D+01  0.136738D+02
      5  -0.534764D+01  0.976018D+01  0.126496D+02  0.143787D+02  0.694083D+01
      6  -0.864445D+01  0.392584D+01  0.615903D+01  0.130147D+02  0.228856D+01
                46            47            48            49            50 
      1  -0.131064D+02 -0.868310D+00 -0.628612D+01  0.414354D+01 -0.221524D+02
      2   0.833602D+01  0.681358D+00  0.376090D+01 -0.252467D+01  0.187960D+02
      3   0.477034D+01  0.186952D+00  0.252522D+01 -0.161887D+01  0.335641D+01
      4  -0.142123D+01  0.217468D+02  0.974635D+00 -0.205745D+02 -0.630811D+01
      5  -0.788989D+01  0.846675D+00  0.147545D+02 -0.969897D+01 -0.286936D+01
      6   0.111235D+01  0.742161D+00  0.112849D+01 -0.288828D+01  0.357889D+01
                51            52            53            54            55 
      1  -0.621015D+01 -0.873315D+01 -0.650082D+01  0.125676D+02  0.157521D+02
      2   0.789802D+01  0.329077D+01  0.565711D+01 -0.171314D+02 -0.640556D+01
      3  -0.168788D+01  0.544239D+01  0.843712D+00  0.456379D+01 -0.934659D+01
      4  -0.354113D+01 -0.106177D+02  0.590222D+00 -0.497395D+00 -0.713572D+01
      5  -0.973870D+00  0.337869D+02  0.288077D+00  0.491799D+01  0.135602D+00
      6  -0.311362D+01  0.285431D+00  0.465713D+01 -0.263770D+01 -0.231392D+00
                56            57            58            59            60 
      1  -0.227272D+00  0.816414D+00  0.249719D+01 -0.696885D+01  0.168629D+01
      2   0.304914D+01  0.130188D+00  0.350355D+01  0.356256D+01  0.436257D+00
      3  -0.282187D+01 -0.946602D+00 -0.600074D+01  0.340629D+01 -0.212254D+01
      4  -0.164244D+02  0.459628D+01 -0.269122D+02 -0.178206D+01  0.242376D+01
      5   0.492101D+01 -0.111406D+02  0.732868D+01  0.153706D+01 -0.154874D+02
      6   0.103734D+01 -0.109513D+01  0.324628D+01  0.561949D+01 -0.102962D+02
                61            62            63            64            65 
      1   0.106193D+02  0.609517D+01  0.701137D+00 -0.367133D+02  0.557894D+01
      2   0.197358D+01  0.138820D+01  0.898471D+01  0.227316D+02 -0.616938D+01
      3  -0.125929D+02 -0.748337D+01 -0.968584D+01  0.139817D+02  0.590442D+00
      4   0.103028D+02  0.971663D+01 -0.203526D+02  0.913219D+01  0.114441D+02
      5  -0.184910D+02 -0.185359D+02 -0.209806D+02 -0.120018D+02 -0.457286D+01
      6  -0.983125D+01 -0.427006D+01 -0.615015D+01  0.263666D+01  0.300772D+01
                66            67            68            69            70 
      1  -0.962855D+01 -0.276452D+01 -0.162583D+01 -0.844122D+00 -0.870194D+01
      2   0.665519D+01 -0.218122D+01  0.142437D+02 -0.108258D+01  0.716133D+01
      3   0.297336D+01  0.494574D+01 -0.126179D+02  0.192671D+01  0.154061D+01
      4  -0.345987D+01  0.196305D+02 -0.196456D+02  0.781023D+01 -0.673906D+01
      5   0.397617D+01 -0.944196D+01  0.715266D+01  0.767729D+01  0.251269D+01
      6  -0.137021D+01  0.291093D+01 -0.813059D+01  0.261021D+01  0.186552D+01
                71            72            73            74            75 
      1   0.827783D+00 -0.141759D+01 -0.544989D+02 -0.163047D+02 -0.227798D+01
      2  -0.181513D+01 -0.665600D+01  0.223447D+02  0.150367D+02  0.416785D+01
      3   0.987346D+00  0.807359D+01  0.321542D+02  0.126804D+01 -0.188987D+01
      4   0.884166D+01  0.716272D+01 -0.199644D+02  0.128482D+02 -0.568018D+01
      5   0.669100D+01  0.217896D+02 -0.209658D+01 -0.297217D+01  0.921467D+01
      6  -0.495523D+00 -0.151930D+02 -0.401929D+01 -0.475417D+01  0.340396D+01
                76            77            78            79            80 
      1  -0.966703D+01  0.199901D+02  0.226443D+01 -0.107623D+02 -0.177296D+00
      2   0.882974D+01 -0.228226D+02  0.538250D+01  0.503616D+01  0.257733D+01
      3   0.837285D+00  0.283252D+01 -0.764693D+01  0.572616D+01 -0.240004D+01
      4   0.178907D+02 -0.443901D+01 -0.518672D+01 -0.146675D+02 -0.101309D+02
      5  -0.767300D+01 -0.783432D+01  0.142952D+02  0.133035D+02  0.156520D+02
      6  -0.601001D+01 -0.306082D+01  0.770724D+01  0.703788D+01  0.788650D+01
                81            82            83            84            85 
      1   0.121375D+02  0.195602D+01 -0.338037D+01 -0.224625D+01 -0.440214D+01
      2   0.880938D+01 -0.758077D+00  0.125901D+01  0.475161D+00  0.106205D+01
      3  -0.209469D+02 -0.119795D+01  0.212136D+01  0.177109D+01  0.334009D+01
      4   0.193399D+02 -0.396544D+01  0.136090D+01  0.317024D+01  0.539603D+01
      5   0.165884D+02 -0.288448D+01  0.250424D+01  0.682054D+00  0.369489D+01
      6   0.103882D+01  0.195682D+01 -0.118968D+01  0.152792D+00 -0.224123D+01
                86            87            88            89            90 
      1  -0.354245D+01 -0.321937D+00 -0.608171D+01 -0.118817D+01 -0.595184D+01
      2   0.509547D+01  0.251450D+01  0.240898D+01  0.324049D+01  0.263515D+01
      3  -0.155302D+01 -0.219256D+01  0.367273D+01 -0.205232D+01  0.331669D+01
      4  -0.967739D+01 -0.593942D+01  0.827773D+01 -0.117889D+02 -0.120438D+02
      5  -0.519017D+01 -0.112218D+02  0.640316D+01 -0.122907D+02 -0.224038D+02
      6   0.466143D+01  0.956237D+01 -0.313991D+01  0.103461D+02  0.150040D+02
                91            92            93            94            95 
      1   0.358014D+01  0.131186D+01  0.413987D+01  0.808272D+00 -0.262207D+01
      2  -0.583501D+01 -0.132587D+01 -0.450639D+01 -0.211887D+01 -0.482865D+00
      3   0.225487D+01  0.140051D-01  0.366511D+00  0.131060D+01  0.310493D+01
      4   0.451314D+01  0.652436D+01  0.239327D+01  0.933237D+01  0.621969D+01
      5   0.970672D+01  0.240854D+01  0.121551D+02  0.361165D+01  0.654805D+01
      6   0.311968D+01  0.348572D+00  0.177153D+01  0.219736D+01  0.471947D+01
                96            97            98            99           100 
      1  -0.306236D+01  0.234117D+01 -0.334350D+01 -0.108221D+02  0.320873D+01
      2  -0.945584D+00 -0.826726D+01 -0.233084D+01 -0.145924D+02 -0.423531D+01
      3   0.400794D+01  0.592609D+01  0.567434D+01  0.254145D+02  0.102659D+01
      4   0.691515D+01  0.300265D+01  0.666542D+01  0.915594D+01  0.829485D+00
      5   0.918041D+01  0.178982D+02  0.871471D+01  0.318077D+02 -0.315836D+01
      6   0.947329D+01  0.470959D+01  0.670440D+01  0.116316D+02 -0.236465D+00
               101           102           103           104           105 
      1   0.109890D+01 -0.650865D+01 -0.189808D+01 -0.467774D+01 -0.186898D+01
      2  -0.164617D+01  0.907056D+00  0.138417D+01  0.631539D+00 -0.563369D+01
      3   0.547263D+00  0.560159D+01  0.513907D+00  0.404620D+01  0.750267D+01
      4  -0.188548D+01 -0.753966D+00 -0.789204D+00 -0.313923D+01 -0.485916D+01
      5   0.841133D+00  0.108922D+01  0.353942D+01 -0.361294D+01 -0.880859D+01
      6   0.149015D+01 -0.119929D+01  0.179523D+00  0.165797D+01  0.320437D+01
               106           107           108           109           110 
      1  -0.541623D+01 -0.291359D+00 -0.172400D+02 -0.281126D+01  0.975930D+01
      2   0.406494D+01 -0.387354D+01 -0.176631D+02  0.572290D+01 -0.103351D+02
      3   0.135129D+01  0.416489D+01  0.349031D+02 -0.291164D+01  0.575764D+00
      4  -0.191410D+01 -0.615550D+01 -0.482643D+01  0.131343D+01 -0.211761D+01
      5   0.776851D+01 -0.226857D+01 -0.309902D+02  0.211609D+01 -0.335938D+00
      6   0.890867D+00  0.406911D+01 -0.942988D+01 -0.473516D-01  0.242317D+01
               111           112           113           114           115 
      1  -0.617333D+00  0.946237D+01 -0.270242D+02  0.232733D+01  0.208446D+01
      2  -0.397244D+00 -0.742298D+01  0.405831D+02 -0.143281D+01 -0.148930D+01
      3   0.101458D+01 -0.203939D+01 -0.135588D+02 -0.894516D+00 -0.595160D+00
      4   0.133931D+01  0.365799D+01  0.296803D+02 -0.264156D+01  0.230175D+01
      5  -0.212594D+01 -0.261757D+01 -0.379326D+00  0.364037D+01 -0.554823D+00
      6  -0.265980D+01  0.707243D+00 -0.870715D+01  0.647937D+01 -0.178784D+01
               116           117           118           119           120 
      1   0.151015D+01 -0.610232D+01  0.814110D+02  0.117153D+02  0.221306D+01
      2   0.174504D+00  0.360665D+01 -0.382286D+02 -0.278875D+01  0.287950D+00
      3  -0.168465D+01  0.249567D+01 -0.431824D+02 -0.892659D+01 -0.250101D+01
      4   0.977588D+00  0.162789D+01  0.345821D+02  0.165176D+02 -0.175296D+00
      5   0.243085D+01 -0.116480D+01 -0.957824D+01 -0.213129D+01  0.104596D+02
      6   0.656129D+01 -0.117722D+01 -0.374987D+00 -0.149655D+01  0.368018D+01
               121           122           123           124           125 
      1   0.358540D+01  0.604940D+01  0.659271D-01  0.879239D+01  0.685152D+00
      2   0.137017D+01  0.474321D+00 -0.356009D+00 -0.326461D+01  0.335295D+00
      3  -0.495557D+01 -0.652372D+01  0.290082D+00 -0.552779D+01 -0.102045D+01
      4   0.137957D+02  0.844707D+01  0.758438D+00  0.424865D+01  0.348585D+01
      5   0.192508D+00 -0.942112D-01 -0.522850D+00  0.104992D+02  0.726317D+00
      6  -0.921718D+00 -0.470389D+00  0.769426D+00  0.349266D+01  0.948563D+00
               126           127           128           129           130 
      1   0.643392D+01 -0.368301D+01  0.649781D+01  0.953031D+00  0.792083D+01
      2  -0.545153D+01  0.603630D+01 -0.930054D+01 -0.672173D+00 -0.109533D+02
      3  -0.982396D+00 -0.235329D+01  0.280273D+01 -0.280858D+00  0.303242D+01
      4   0.184273D+01 -0.786067D+01  0.664491D+01  0.615440D+00  0.682019D+01
      5   0.657053D-01 -0.676547D-01  0.912695D+00  0.445791D+00  0.737857D+00
      6   0.630957D+00 -0.577164D+00 -0.304289D+00 -0.192519D+01 -0.797084D+00
               131           132           133           134           135 
      1  -0.240232D+02 -0.237065D+01  0.507938D+00 -0.170644D+01 -0.112843D+01
      2   0.327130D+02  0.183749D+01 -0.825895D+00  0.222717D+01  0.171284D+01
      3  -0.868979D+01  0.533160D+00  0.317956D+00 -0.520732D+00 -0.584412D+00
      4  -0.598631D+01 -0.356916D+00  0.135148D+00  0.891413D-01 -0.161644D+01
      5  -0.915684D+00 -0.830729D+00  0.781010D+00 -0.935022D+00  0.826057D-01
      6   0.267385D+01  0.518341D+01 -0.913532D+00  0.230546D+01  0.571653D+00
               136           137           138           139           140 
      1   0.871391D+01  0.693731D+01  0.126864D+01  0.103980D+01 -0.103341D+02
      2   0.203907D+01  0.423207D+01 -0.705366D-01  0.106364D+02  0.314347D+02
      3  -0.107530D+02 -0.111694D+02 -0.119811D+01 -0.116762D+02 -0.211007D+02
      4   0.231966D+02  0.259102D+02  0.520001D+01  0.276092D+02  0.477267D+02
      5   0.489246D+01  0.493227D+01  0.525801D+01  0.503570D+01  0.786093D+01
      6   0.352604D+01  0.384964D+01  0.336490D+01  0.495107D+01  0.102650D+02
               141           142           143           144           145 
      1  -0.217224D+01  0.871532D+00 -0.137070D+01 -0.125073D+01  0.101305D+03
      2   0.374996D+01  0.140159D+01  0.471515D+01  0.254181D+01 -0.583289D+02
      3  -0.157772D+01 -0.227313D+01 -0.334445D+01 -0.129108D+01 -0.429765D+02
      4   0.848079D+01  0.667675D+01  0.100764D+02  0.428648D+01  0.412634D+01
      5   0.646096D+01  0.254554D+01  0.350974D+01  0.238484D+01  0.116761D+02
      6   0.829614D+01  0.255148D+01  0.495878D+01  0.297149D+01 -0.199579D+01
               146           147           148           149           150 
      1   0.292570D+01  0.780455D+01  0.169086D+01  0.964472D+01  0.118216D+01
      2  -0.145295D+01 -0.549560D+01 -0.742441D+00 -0.478925D+01 -0.100209D+01
      3  -0.147275D+01 -0.230895D+01 -0.948419D+00 -0.485547D+01 -0.180068D+00
      4   0.858123D+01 -0.602757D-01  0.151214D+02  0.119174D+01  0.145418D+01
      5  -0.423552D-01  0.117486D+02  0.235676D+01  0.149022D+01  0.527536D+00
      6   0.558187D+00 -0.952814D-02  0.105821D+01 -0.153017D+00  0.143952D+01
               151           152           153           154           155 
      1   0.100497D+02  0.139993D+01  0.472662D+01  0.157950D+02 -0.106150D+02
      2  -0.609461D+01 -0.868697D+00 -0.302228D+01 -0.686795D+00 -0.310475D+01
      3  -0.395510D+01 -0.531237D+00 -0.170434D+01 -0.151082D+02  0.137197D+02
      4   0.251939D+01  0.115725D+01  0.407282D+00 -0.292817D+02  0.294892D+02
      5   0.497063D+01  0.225130D+00  0.253026D+01 -0.377508D+01  0.284059D+01
      6  -0.278291D-01  0.711126D+00  0.311393D+00  0.132126D+01 -0.103596D+01
               156           157           158           159           160 
      1  -0.145521D+01 -0.565926D+01 -0.175221D+01  0.415136D-01  0.181332D+00
      2   0.455865D+00 -0.884129D+01  0.233418D+02  0.107686D+01 -0.144048D+01
      3   0.999344D+00  0.145006D+02 -0.215896D+02 -0.111837D+01  0.125915D+01
      4   0.259634D+01  0.324298D+02 -0.474445D+02 -0.545813D+01  0.380941D+01
      5   0.515757D+01  0.487644D+01 -0.623571D+01 -0.601462D+01  0.234770D+01
      6  -0.304543D+01 -0.302524D+01  0.473466D+01  0.632770D+01 -0.193246D+01
               161           162           163           164           165 
      1  -0.926864D+00 -0.558828D+00 -0.532694D+01 -0.738293D+01 -0.262435D+01
      2   0.278258D+01  0.172918D+01  0.652040D+01  0.856814D+01  0.159998D+01
      3  -0.185572D+01 -0.117035D+01 -0.119346D+01 -0.118521D+01  0.102436D+01
      4  -0.586451D+01 -0.362173D+01  0.521047D+01  0.691662D+01  0.123036D+01
      5  -0.265171D+01 -0.135046D+01  0.470155D+00  0.832164D+00  0.128200D+01
      6   0.339493D+01  0.167848D+01  0.258934D+01  0.371141D+01  0.280732D+01
               166           167           168           169           170 
      1  -0.790532D+01 -0.282354D+02 -0.705991D+01 -0.233500D+01 -0.668358D+01
      2   0.995229D+01  0.359812D+02  0.617639D+01  0.245960D+01  0.726547D+01
      3  -0.204697D+01 -0.774577D+01  0.883515D+00 -0.124594D+00 -0.581886D+00
      4   0.586096D+01  0.178245D+01  0.209956D-01  0.143805D+01  0.779908D+00
      5   0.647587D+00 -0.693352D+00  0.144569D+00  0.115022D+01  0.689716D+00
      6   0.326223D+01  0.112972D+02  0.805789D+01  0.152536D+01  0.475481D+01
               171           172           173           174           175 
      1  -0.309923D+01  0.649844D+02 -0.955881D+01  0.112097D+02 -0.179465D+00
      2   0.315004D+01 -0.350732D+02  0.351418D+01 -0.704640D+01 -0.170341D+01
      3  -0.508097D-01 -0.299112D+02  0.604462D+01 -0.416325D+01  0.188287D+01
      4   0.199852D+01 -0.255727D+02  0.108857D+02 -0.322039D+01  0.684288D+01
      5   0.103252D+01  0.172633D+02 -0.171302D+01  0.995264D+01  0.236558D+01
      6   0.329346D+01 -0.470641D+01  0.813233D+00 -0.276749D+01  0.368616D+00
               176           177           178           179           180 
      1   0.267368D+01  0.254190D+01  0.141226D+02  0.768827D+00  0.557634D+01
      2  -0.374045D+00 -0.233907D+01 -0.100702D+02 -0.490796D+00 -0.436316D+01
      3  -0.229964D+01 -0.202832D+00 -0.405242D+01 -0.278031D+00 -0.121318D+01
      4  -0.213762D+01  0.107774D+01 -0.330771D+01  0.160014D+01 -0.310341D+01
      5   0.181548D+01  0.303696D+00  0.112845D+02 -0.227209D+01  0.517475D+01
      6  -0.534525D+00  0.139262D+01 -0.231124D+01  0.168926D+01 -0.839974D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x         -0.448079D+00     -0.113890D+01     -0.379898D+01
   y         -0.269225D+00     -0.684303D+00     -0.228259D+01
   z          0.251131D+00      0.638311D+00      0.212918D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.126730D+03      0.187794D+02      0.208949D+02
   yx         0.903546D+00      0.133892D+00      0.148975D+00
   yy         0.104140D+03      0.154319D+02      0.171703D+02
   zx         0.281518D+01      0.417167D+00      0.464160D+00
   zy         0.483741D+01      0.716830D+00      0.797581D+00
   zz         0.670564D+02      0.993673D+01      0.110561D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104869D+03      0.155399D+02      0.172905D+02
   aniso      0.531224D+02      0.787193D+01      0.875871D+01
   xx         0.132589D+03      0.196476D+02      0.218609D+02
   yx         0.833897D+00      0.123571D+00      0.137491D+00
   yy         0.109410D+03      0.162129D+02      0.180392D+02
   zx         0.255986D+01      0.379332D+00      0.422063D+00
   zy         0.430175D+01      0.637454D+00      0.709264D+00
   zz         0.726073D+02      0.107593D+02      0.119713D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.53607466         -2.91565787         -2.07048292
     6          0.80927742         -2.47769656         -0.14723813
     6         -0.41786881         -0.15140609          0.08040782
     6          0.12047473          1.71930472         -1.68994411
     6          1.86242815          1.29147708         -3.61325982
     6          3.08052437         -1.02221775         -3.81064219
     6         -2.28067951          0.26781541          2.22650307
     7         -3.53850372          2.72350695          2.00979222
     6         -1.00691239         -0.12238757          4.80789847
     1         -2.31712068          4.13597487          2.45183943
     1         -3.76994216         -1.15498740          2.02586317
     1          0.49266060          1.27239073          5.07259673
     1         -0.16500461         -1.99494953          4.98796836
     1         -2.38650853          0.10758568          6.32565263
     1         -0.86785450          3.50307433         -1.59509886
     1          2.25297917          2.77345077         -4.96906539
     1          4.42973347         -1.35680704         -5.31103090
     1          3.45534572         -4.73780743         -2.21482921
     1          0.39850037         -3.97621185          1.18553158
     1         -4.97315233          2.82834855          3.27258364

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.579935D+00      0.147405D+01      0.491689D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.900945D+02      0.133506D+02      0.148546D+02
   yx        -0.132642D+02     -0.196555D+01     -0.218697D+01
   yy         0.100341D+03      0.148689D+02      0.165439D+02
   zx        -0.258890D+02     -0.383636D+01     -0.426853D+01
   zy        -0.415201D+01     -0.615264D+00     -0.684573D+00
   zz         0.107491D+03      0.159285D+02      0.177229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104869D+03      0.155399D+02      0.172905D+02
   aniso      0.531224D+02      0.787193D+01      0.875871D+01
   xx         0.957300D+02      0.141857D+02      0.157838D+02
   yx        -0.135974D+02     -0.201493D+01     -0.224191D+01
   yy         0.105374D+03      0.156149D+02      0.173739D+02
   zx        -0.257170D+02     -0.381087D+01     -0.424017D+01
   zy        -0.390633D+01     -0.578859D+00     -0.644067D+00
   zz         0.113502D+03      0.168192D+02      0.187139D+02

 ----------------------------------------------------------------------
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 IF YOU DON'T HAVE THE LAW - ARGUE THE FACTS.
 IF YOU DON'T HAVE THE FACTS - ARGUE THE LAW.
 IF YOU DON'T HAVE EITHER - POUND THE TABLE.
 Job cpu time:       0 days  2 hours  3 minutes 30.4 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 29.2 seconds.
 File lengths (MBytes):  RWF=    264 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:01:41 2021.
